SCHEMBL2862569

SCHEMBL2862569

Cc1ccnc(NC(=O)N(S)C(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
ATM Q13315 1/20 0.54
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.46
MAPK8 P45983 1/20 0.45
GSK3A P49840 1/20 0.45
MAPK10 P53779 1/20 0.45
HIPK1 Q86Z02 1/20 0.45
RIOK2 Q9BVS4 1/20 0.45
SNRK Q9NRH2 1/20 0.45

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
SCHEMBL14859989 0.80 RAB9A (0.55) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2176413 0.79 NPC1 (0.89) RAB9ANPC1ATMALDH1A1KMT2A
SCHEMBL17065565 0.79 NPC1 (0.89) RAB9ANPC1ATMALDH1A1KMT2A
SCHEMBL5713541 0.76 THRB (0.51) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5713570 0.76 NPSR1 (0.54) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL12062550 0.75 NPC1 (0.54) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL829141 0.75 RAB9A (0.62) RAB9ANPC1ATMALDH1A1KMT2A
SCHEMBL8341109 0.74 RAB9A (0.72) RAB9ANPC1ATMALDH1A1KMT2A
SCHEMBL8460601 0.74 NPC1 (0.80) RAB9ANPC1ATMALDH1A1KMT2A
SCHEMBL7177042 0.74 NPC1 (0.80) RAB9ANPC1ATMALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513818-B1 HETEROCYCLIC INHIBITORS OF VEGFR-2 KINASES BRISTOL MYERS SQUIBB CO (US) 2010-01-20 EP disclosed
US-7547711-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
EP-1513818-A4 HETEROCYCLIC INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-10-04 EP disclosed
US-7084160-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-01 US disclosed
US-20060135576-A1 Heterocyclic inhibitors of kinases BORZILLERI ROBERT M 2006-06-22 US disclosed
EP-1513818-A2 HETEROCYCLIC INHIBITORS OF KINASES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
US-20040077696-A1 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2004001059-A2 HETEROCYCLIC INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-31 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 (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-20060135576-A1 Heterocyclic inhibitors of kinases FGFR1, FLT1, FGFR2 RAB9A 2178/4885NPC1 3873/4885ATM 866/4885
US-20040077696-A1 Heterocyclic inhibitors of kinases FGFR1, FLT1, FGFR2 RAB9A 2003/4885NPC1 3732/4885ATM 1018/4885

“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.