SCHEMBL7214729

SCHEMBL7214729

COC(=O)c1cnc2c(c1)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.48
GRM5 P41594 1/20 0.45
RAB9A P51151 3/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ACSS2 Q9NR19 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
PSMD14 O00487 1/20 0.39
P2RY12 Q9H244 1/20 0.38
SRC P12931 1/20 0.38
ABL1 P00519 1/20 0.37

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
SCHEMBL2960810 0.82 FGFR1 (0.64) FGFR1RAB9AMAPTNPC1KMT2A
SCHEMBL2956818 0.80 FGFR1 (0.54) FGFR1RAB9AMAPTTSHRNPC1
SCHEMBL857137 0.74 GRM5 (0.36) FGFR1GRM5KMT2AKDR
SCHEMBL3070854 0.73 TSHR (0.42) FGFR1RAB9AMAPTTSHRKMT2A
SCHEMBL2236527 0.72 KDM4E (0.40) RAB9AMAPTTSHRNPC1KMT2A
SCHEMBL7213819 0.71 GRM5 (0.34) GRM5RAB9ANPC1
SCHEMBL23675171 0.71 HPGD (0.64) FGFR1RAB9AMAPT
SCHEMBL23675198 0.70 HPGD (0.69) FGFR1RAB9AMAPTKMT2AKDM4E
SCHEMBL23928706 0.70 FGFR1 (0.51) FGFR1RAB9AMAPTKMT2AL3MBTL1
SCHEMBL30509794 0.70 FGFR1 (0.51) FGFR1RAB9AMAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 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 (1 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-20020193398-A1 Thrombin inhibitors F2, F3, TFPI FGFR1 3124/4885GRM5 4676/4885RAB9A 1207/4885

“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.