SCHEMBL3362095

SCHEMBL3362095

CCOc1ccc2c(CNc3ccsc3C(=O)Nc3ccc(OC(F)(F)F)cc3)ccnc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.77
KIT P10721 2/20 0.77
RAF1 P04049 1/20 0.77
LCK P06239 1/20 0.77
RET P07949 1/20 0.77
CYP3A4 P08684 1/20 0.77
MAP3K20 Q9NYL2 1/20 0.77
RIPK3 Q9Y572 1/20 0.77
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
FLT1 P17948 4/20 0.42
MAPK1 P28482 1/20 0.42
NTRK1 P04629 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ABL1 P00519 2/20 0.41
BRAF P15056 1/20 0.41
MAPT P10636 5/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL3363327 0.94 KDR (0.79) KDRKITRAF1LCKRET
SCHEMBL3359832 0.93 KDR (0.79) KDRKITRAF1LCKRET
SCHEMBL3361221 0.92 KDR (0.75) KDRKITRAF1LCKRET
SCHEMBL3359202 0.92 KDR (0.77) KDRKITRAF1LCKRET
SCHEMBL13846236 0.91 KDR (0.76) KDRKITRAF1LCKRET
SCHEMBL20805543 0.91 KDR (0.78) KDRKITRAF1LCKRET
SCHEMBL3362720 0.90 KDR (0.79) KDRKITRAF1LCKRET
SCHEMBL3364485 0.87 KDR (0.81) KDRKITRAF1LCKRET
Osi-930 SCHEMBL633719 0.87 KDR (1.00) KDRKITRAF1LCKRET
Osi-930 SCHEMBL29352171 0.87 KDR (1.00) KDRKITRAF1LCKRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010088000-A2 ANTIFIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2010-08-05 WO claimed
WO-2010088000-A2 ANTIFIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2010-08-05 WO disclosed
US-7696225-B2 (2-carboxamido)(3-Amino) thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
US-7696225-B2 (2-carboxamido)(3-Amino) thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
WO-2009152340-A2 2,3-SUBSTITUTED THIOPHENES IN LUNG INFLAMMATION THERAPIES OSI PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
WO-2009073139-A2 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN INHIBITOR OF C-KIT OSI PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
US-20090136517-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN INHIBITOR OF C-KIT OSI PHARMACEUTICALS, INC. 2009-05-28 US disclosed
US-20090136517-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN INHIBITOR OF C-KIT OSI PHARMACEUTICALS, INC. 2009-05-28 US disclosed
EP-1807419-B1 (2-CARBOXAMIDO)(3-AMINO) THIOPHENE COMPOUNDS OSI PHARM INC (US) 2009-05-27 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 (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-20090136517-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN INHIBITOR OF C-KIT KIT, EGFR, AURKC KDR 57/4885KIT 1/4885RAF1 81/4885

“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.