SCHEMBL2221671

SCHEMBL2221671

COCCOc1cnc(-c2cccc(Cl)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
NOTUM Q6P988 1/20 0.41
NR1I3 Q14994 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
VEGFA P15692 1/20 0.39
FLT1 P17948 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39

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
SCHEMBL158829 0.83 CACNA2D1 (0.46) HSD17B10NPC1SMN1; SMN2RAB9ANR1I3
SCHEMBL2221994 0.83 CLK4 (0.54) NPC1SMN1; SMN2RAB9ANOTUMNR1I3
SCHEMBL2220568 0.82 PDE4B (0.42) HSD17B10NPC1SMN1; SMN2NOTUMNR1I3
SCHEMBL21507854 0.81 KMT2A (0.48) SMN1; SMN2CHEK1CHEK2VEGFAFLT1
SCHEMBL2220953 0.79 NR1I3 (0.43) NPC1SMN1; SMN2NOTUMNR1I3DYRK1A
SCHEMBL366495 0.77 HTT (0.57) SMN1; SMN2HRH3KMT2A
SCHEMBL2222115 0.77 CNR2 (0.40) NPC1SMN1; SMN2RAB9ACYP1A2VEGFA
SCHEMBL13505231 0.77 HPGD (0.42) HSD17B10NPC1SMN1; SMN2NOTUMNR1I3
SCHEMBL2269953 0.74 LIPG (0.39) DYRK1ACLK4CHEK1CHEK2IGF1R
SCHEMBL2616114 0.74 IDO1 (0.47) NPC1SMN1; SMN2RAB9ATP53ALDH1A1

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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 HSD17B10 3929/4885NPC1 3559/4885SMN1; SMN2 3605/4885

“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.