SCHEMBL4605599

SCHEMBL4605599

Cc1cc(N)sc1C(=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 1/20 0.39
PTGER4 P35408 2/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
MAP4K1 Q92918 1/20 0.34
HTR2C P28335 1/20 0.34
RAF1 P04049 1/20 0.34
FBP1 P09467 1/20 0.34
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL381373 0.79 CSNK2A2 (0.33) SMN1; SMN2NPC1HPGDHTR2C
SCHEMBL243572 0.78 KDM4E (0.42) ALDH1A1SMN1; SMN2NPC1HPGDPOLB
SCHEMBL14507422 0.78 IKBKB (0.45) ALDH1A1GAAHPGDPOLB
SCHEMBL14029306 0.78 KDM4E (0.45) ALDH1A1GAASMN1; SMN2NPC1HPGD
SCHEMBL381758 0.76 CSNK2A2 (0.37) ALDH1A1SMN1; SMN2NPC1HPGDHTR2C
Hydrochloric Acid SCHEMBL4621697 0.76 KDM4E (0.41) ALDH1A1SMN1; SMN2NPC1HPGDPOLB
SCHEMBL22860217 0.76 DAO (0.55) ALDH1A1SMN1; SMN2NPC1HPGDPTGER4
SCHEMBL381374 0.73 TSHR (0.36) ALDH1A1HPGDTP53HTT
SCHEMBL24630402 0.73 FFAR1 (0.34) ALDH1A1GAASMN1; SMN2HPGDMAPK14
SCHEMBL381164 0.73 MAPK14 (0.52) ALDH1A1GAANPC1HPGDMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009061781-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS SCHERING CORPORATION (US) 2009-05-14 WO disclosed
EP-1945216-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2008-07-23 EP disclosed
EP-1945644-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-07-23 EP disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 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 (2 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-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A ALDH1A1 3481/4885GAA 2693/4885SMN1; SMN2 1994/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 ALDH1A1 2950/4885GAA 2273/4885SMN1; SMN2 3442/4885

“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.