SCHEMBL3961367

SCHEMBL3961367

Cc1c[nH]c(C(=O)c2cccc(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 2/20 0.45
PARP1 P09874 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL5151745 0.75 NPC1 (0.32) NPC1RAB9A
SCHEMBL13586875 0.73 CES2 (0.46) CES2CES1NPC1RAB9APOLB
Bromide SCHEMBL7429002 0.73 NPC1 (0.32) NPC1RAB9A
SCHEMBL1258944 0.73 CES2 (0.74) CES2CES1NPC1RAB9APOLB
SCHEMBL697332 0.73 NPC1 (0.54) CES2CES1NPC1RAB9APARP1
SCHEMBL8490277 0.72 S1PR2 (0.38) NPC1RAB9APOLBKMT2AALDH1A1
Hydrochloric Acid SCHEMBL27733562 0.71 CES2 (0.71) CES2CES1POLBPARP1KMT2A
SCHEMBL2705684 0.71 CES2 (0.71) CES2CES1POLBPARP1KMT2A
SCHEMBL806857 0.71 KCNK3 (0.64) CES2CES1NPC1RAB9APOLB
SCHEMBL15647249 0.70 KMT2A (0.50) CES2CES1NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626031-B2 5-[(1-Ethylpiperidin-4-yl)amino]-3-[(3-fluorophenyl)(1H-imidazol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one; antiproliferative agents; modulating cell differentiation,migration, and chemoinvasion; endothelial growth factor-modulated diseases; antiarthritic agents; graft versus host diseases SYMPHONY EVOLUTION, INC. (US) 2009-12-01 US disclosed
EP-1581309-A4 KINASE MODULATORS EXELIXIS INC (US) 2009-07-29 EP disclosed
US-20060122171-A1 Kinase modulators SYMPHONY EVOLUTION, INC. 2006-06-08 US disclosed
EP-1581309-A2 KINASE MODULATORS Exelixis, Inc. (US) 2005-10-05 EP disclosed
WO-2004050681-A2 KINASE MODULATORS EXELIXIS, INC. (US) 2004-06-17 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-20060122171-A1 Kinase modulators FLT1, KDR, FLT4 CES2 2989/4885CES1 3014/4885NPC1 4191/4885

“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.