SCHEMBL9377686

SCHEMBL9377686

Fc1ccc(C2CC=NN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
KDM1A O60341 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GSK3B P49841 1/20 0.33
BACE1 P56817 1/20 0.33
KCNH2 Q12809 2/20 0.33
SLC6A2 P23975 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR2B P41595 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MC4R P32245 1/20 0.32
PRCP P42785 1/20 0.32
GAA P10253 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31211694 1.00 CA1 (0.40) CA1KDM1ATSHRTDP1ATM
SCHEMBL9377819 0.80 GFER (0.36) TSHRTDP1ATMHTR2AHTR2C
SCHEMBL9380997 0.80 MEN1 (0.40) TSHRTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL24111077 0.80 MEN1 (0.40) TSHRTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL9379626 0.80 ESR2 (0.38) CA1KDM1AALDH1A1MAPT
SCHEMBL23842647 0.80 RIPK1 (0.33)
SCHEMBL20254551 0.79 HTR2A (0.37) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL1178805 0.79 MEN1 (0.38) TSHRMAPTPRCPGAA
SCHEMBL9378182 0.78 CA1 (0.46) CA1KDM1AHTR2AHTR2CHTR2B
SCHEMBL10066948 0.77 HPGD (0.41) TDP1ATMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295695-B1 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1994-06-08 EP claimed
US-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-12 US disclosed
US-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-12 US disclosed
US-11485710-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-01 US disclosed
US-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF VORONOIBIO INC. (KR) 2022-08-04 US disclosed
EP-3971190-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Voronoi Inc. (KR) 2022-03-23 EP disclosed
US-20210332058-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2021-10-28 US disclosed
US-20210284647-A1 N-(3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYLPHENYL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR TREATING KINASE-RELATED DISEASES VORONOI CO., LTD (KR) 2021-09-16 US disclosed
US-20210284647-A1 N-(3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYLPHENYL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR TREATING KINASE-RELATED DISEASES VORONOI CO., LTD (KR) 2021-09-16 US disclosed
US-20210253532-A1 Heterocyclic Amides as Kinase Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-19 US disclosed
US-10590085-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-17 US disclosed
US-20190300537-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2019-10-03 US disclosed
WO-2018107060-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2018-06-14 WO disclosed
US-20180134665-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 US disclosed
US-20180134665-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 US disclosed
WO-2016185423-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
EP-0295695-B1 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1994-06-08 EP disclosed
US-4990529-A Nervous system disorder MITSUI TOATSU CHEMICALS (JP) 1991-02-05 US disclosed
US-4839376-A Pyrazoline derivatives for treating cerebrovascular diseases MITSUI TOATSU CHEMICALS, INC. (JP) 1989-06-13 US disclosed
EP-0295695-A2 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-12-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10590085-B2 Heterocyclic amides as kinase inhibitors MAP3K19, MAP3K20, MAP3K1 CA1 3485/4885KDM1A 460/4885TSHR 843/4885
US-20210332058-A1 Compounds, Compositions and Methods BAX, CASP3, CASP8 CA1 620/4885KDM1A 4571/4885TSHR 4796/4885
US-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF CDK4, CDK6, CDK16 CA1 4416/4885KDM1A 1934/4885TSHR 2922/4885
US-11753381-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 CA1 4241/4885KDM1A 2716/4885TSHR 2948/4885
US-20210253532-A1 Heterocyclic Amides as Kinase Inhibitors MAP3K19, MAP3K20, MAP3K1 CA1 3569/4885KDM1A 482/4885TSHR 797/4885
US-20190300537-A1 Compounds, Compositions and Methods BAX, CASP3, CASP8 CA1 620/4885KDM1A 4571/4885TSHR 4796/4885
US-20210284647-A1 N-(3-(IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYLPHENYL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR TREATING KINASE-RELATED DISEASES MYLK3, MINK1, PLK2 CA1 4777/4885KDM1A 899/4885TSHR 3374/4885
US-11485710-B2 Heterocyclic amides as kinase inhibitors MAP3K19, MAP3K20, MAP3K1 CA1 3569/4885KDM1A 482/4885TSHR 797/4885
US-20180134665-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K1 CA1 3485/4885KDM1A 460/4885TSHR 843/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.