SCHEMBL614642

SCHEMBL614642

Cn1ncc2c(F)cc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.36
ALDH1A2 O94788 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH1A3 P47895 1/20 0.34
GAA P10253 1/20 0.33
BCDIN3D Q7Z5W3 3/20 0.33
PIP4K2A P48426 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
MAOB P27338 2/20 0.32
HTR2C P28335 2/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
MAOA P21397 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL30251519 1.00 PTGER3 (0.36) PTGER3ALDH1A2ALDH1A1ALDH1A3GAA
SCHEMBL30855850 0.81 GAA (0.35) ALDH1A2ALDH1A1ALDH1A3GAAADORA2A
SCHEMBL15209635 0.81 GAA (0.35) ALDH1A2ALDH1A1ALDH1A3GAAADORA2A
SCHEMBL4718490 0.81 PI4KA (0.37) ALDH1A2ALDH1A1ALDH1A3BCDIN3DADORA2A
SCHEMBL30860950 0.81 PI4KA (0.37) ALDH1A2ALDH1A1ALDH1A3BCDIN3DADORA2A
SCHEMBL16728808 0.81 IDO1 (0.42) PTGER3ALDH1A2ALDH1A1ALDH1A3GAA
SCHEMBL31602744 0.81 IDO1 (0.42) PTGER3ALDH1A2ALDH1A1ALDH1A3GAA
SCHEMBL27259507 0.81 ESR1 (0.39) PTGER3ALDH1A2ALDH1A1ALDH1A3GAA
SCHEMBL26520685 0.78 ALDH1A2 (0.34) PTGER3ALDH1A2ALDH1A1ALDH1A3TP53
SCHEMBL31620441 0.77 MAPT (0.36) BCDIN3DMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-20230374015-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. 2023-11-23 US disclosed
US-20230374015-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. 2023-11-23 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 WO disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 WO disclosed
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES NOVARTIS AG (CH) 2011-02-17 US disclosed
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES NOVARTIS AG (CH) 2011-02-17 US disclosed
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES NOVARTIS AG (CH) 2011-02-17 US disclosed
EP-2265614-A1 IMIDAZO [1,2-B]PYRIDAZINE DERIVATIVES FOR THE TREATMENT OF C-MET TYROSINE KINASE MEDIATED DISEASE Novartis AG (CH) 2010-12-29 EP disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
WO-2009106577-A1 IMIDAZO [1,2-B] PYRIDAZINE DERIVATIVES FOR THE TREATMENT OF C-MET TYROSINE KINASE MEDIATED DISEASE NOVARTIS AG (CH) 2009-09-03 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 (8 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-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES MET, ERBB2, ALK PTGER3 1586/4885ALDH1A2 1573/4885ALDH1A1 973/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PTGER3 1491/4885ALDH1A2 4445/4885ALDH1A1 4598/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 PTGER3 1491/4885ALDH1A2 4445/4885ALDH1A1 4598/4885
US-20230374015-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES FGFR1, FGFR2, FGFR3 PTGER3 3177/4885ALDH1A2 1262/4885ALDH1A1 2169/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 PTGER3 1491/4885ALDH1A2 4445/4885ALDH1A1 4598/4885
US-20110039831-A1 3-HETEROARYLMETHYL-IMIDAZO[1,2-B]PYRIDAZIN-6-YL DERIVATIVES MET, ERBB2, ABL1 PTGER3 2024/4885ALDH1A2 1860/4885ALDH1A1 1000/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PTGER3 1491/4885ALDH1A2 4445/4885ALDH1A1 4598/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 PTGER3 1491/4885ALDH1A2 4445/4885ALDH1A1 4598/4885

“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.