SCHEMBL4573347

SCHEMBL4573347

NCc1ccc(-n2cncn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2A6 P11509 1/20 0.46
FBP1 P09467 1/20 0.44
DPP4 P27487 3/20 0.43
DPP8 Q6V1X1 1/20 0.43
CYP11B2 P19099 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
BRS3 P32247 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL19567209 0.82 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL1020541 0.82 LMNA (0.49) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL6869977 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL696687 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL179126 0.81 CYP1A2 (0.58) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL6847934 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL13109196 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL676381 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4573341 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL5013994 0.80 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
EP-4069697-B1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2025-07-16 EP disclosed
US-20230065034-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-03-02 US disclosed
EP-4069697-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2022-10-12 EP disclosed
WO-2021113263-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-10 WO disclosed
CN-103694244-B 3,6 replace-1,2,4-triazole also [3,4-a] Phthalazines and preparation thereof and purposes ZHENGZHOU UNIVERSITY (CN) 2016-03-30 CN disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
EP-2252299-B1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO 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 (3 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-20230065034-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE CRHR1, CRH, CRHR2 SMN1; SMN2 2724/4885KDM4E 4829/4885ALDH1A1 2173/4885
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis OXTR, OPRL1, GPER1 SMN1; SMN2 2103/4885KDM4E 2691/4885ALDH1A1 642/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP SMN1; SMN2 2183/4885KDM4E 3976/4885ALDH1A1 1142/4885

“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.