SCHEMBL785649

SCHEMBL785649

Nc1n[nH]c2ccc(F)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.60
PDPK1 O15530 3/20 0.60
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
ITK Q08881 1/20 0.47
JAK3 P52333 2/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
CCNC P24863 3/20 0.47
CDK8 P49336 3/20 0.47
HTR2A P28223 1/20 0.46
FADS1 O60427 1/20 0.45
DAPK3 O43293 2/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
NTRK1 P04629 2/20 0.45
CSF1R P07333 2/20 0.45
PRKACA P17612 2/20 0.45
CLK2 P49760 2/20 0.45

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
SCHEMBL12907171 0.85 JAK2 (0.72) JAK2PDPK1JAK3JAK1TYK2
SCHEMBL2443498 0.84 JAK2 (0.49) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL220002 0.83 PDPK1 (0.60) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL31032783 0.83 PDPK1 (0.60) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL31032784 0.83 PDPK1 (0.60) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL14095607 0.81 ITK (0.49) JAK2PDPK1KDM4EGAAITK
SCHEMBL12907180 0.81 JAK2 (0.71) JAK2PDPK1JAK3JAK1TYK2
SCHEMBL118573 0.78 JAK2 (0.64) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL10213929 0.78 JAK2 (0.81) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL28575862 0.78 NTRK1 (0.58) CCNCCDK8NTRK1CLK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676923-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS Cancer Research Technology Limited (GB) 2026-01-14 EP disclosed
WO-2024184550-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-09-12 WO disclosed
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 US disclosed
US-11548854-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2023-01-10 US disclosed
US-11332448-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2022-05-17 US disclosed
CN-113243374-B Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2022-04-26 CN disclosed
CN-114014890-A Compound with RIP2 kinase inhibitory activity, pharmaceutical composition containing same, and application thereof 爱科诺生物医药(香港)有限公司 2022-02-08 CN disclosed
CN-113243374-A Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2021-08-13 CN disclosed
CN-108477173-B Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2021-07-02 CN disclosed
EP-1317450-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2003-06-11 EP disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 US disclosed
WO-2002022604-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 WO disclosed
WO-2002022603-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 WO disclosed
US-RE28939-E MUSCLE RELAXANTS, ANALGESICS SMITHKLINE CORPORATION (US) 1976-08-24 US 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A JAK2 456/4885PDPK1 178/4885KDM4E 975/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 JAK2 352/4885PDPK1 139/4885KDM4E 596/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B JAK2 690/4885PDPK1 230/4885KDM4E 921/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B JAK2 487/4885PDPK1 159/4885KDM4E 605/4885
US-11548854-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS JAK2 4579/4885PDPK1 406/4885KDM4E 1583/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B JAK2 464/4885PDPK1 239/4885KDM4E 1142/4885
US-11332448-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS JAK2 4579/4885PDPK1 406/4885KDM4E 1583/4885
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT JAK2 1419/4885PDPK1 3156/4885KDM4E 3058/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP JAK2 553/4885PDPK1 10/4885KDM4E 1005/4885

“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.