SCHEMBL5039010

SCHEMBL5039010

COc1ccc(Nc2nc3cc(Cl)c(F)cc3[nH]2)c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 2/20 0.40
CSNK1D P48730 2/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CSNK1G2 P78368 1/20 0.37
P2RY1 P47900 11/20 0.35
HDAC11 Q96DB2 1/20 0.35
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
MAP2 P11137 1/20 0.33

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
SCHEMBL5047148 0.93 NPC1 (0.42) CSNK1DNPC1LMNATP53MAPT
SCHEMBL5039245 0.93 NPC1 (0.42) CSNK1DNPC1LMNATP53MAPT
SCHEMBL5043650 0.88 NPC1 (0.40) CSNK1DNPC1LMNATP53MAPT
SCHEMBL5048567 0.87 NPC1 (0.44) CSNK1DNPC1LMNATP53MAPT
SCHEMBL5048341 0.86 NPC1 (0.43) NPC1LMNATP53MAPTRAB9A
SCHEMBL5039260 0.86 LMNA (0.42) CSNK1DNPC1LMNATP53MAPT
SCHEMBL5044560 0.85 P2RY1 (0.48) P2RY1
SCHEMBL6481602 0.83 RAB9A (0.45) CSNK1DNPC1LMNATP53MAPT
SCHEMBL5039062 0.83 RAB9A (0.44) NPC1LMNATP53MAPTRAB9A
SCHEMBL5043962 0.83 RAB9A (0.44) CSNK1DNPC1LMNATP53MAPT

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-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP claimed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US claimed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US claimed
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP disclosed
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-03-28 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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 CSNK1E 1283/4885CSNK1D 1817/4885NPC1 2726/4885
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics SRMS, TMT1A, PTMS CSNK1E 978/4885CSNK1D 1288/4885NPC1 4718/4885

“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.