SCHEMBL6082541

SCHEMBL6082541

COCC(C)Nc1ncnc(-c2ccc(OC)cc2Cl)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.36
CDC7 O00311 1/20 0.36
CCNT1 O60563 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CDK9 P50750 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL6082534 1.00 CRHR1 (0.42) CRHR1KDM4EMEN1NPC1RAB9A
SCHEMBL6082517 0.89 KDM4E (0.37) CRHR1KDM4EMEN1NPC1RAB9A
SCHEMBL6082522 0.89 KDM4E (0.37) CRHR1KDM4EMEN1NPC1RAB9A
SCHEMBL6081435 0.87 CRHR1 (0.53) CRHR1
SCHEMBL6081434 0.87 CRHR1 (0.53) CRHR1
SCHEMBL6082560 0.83 HSP90AA1 (0.39) CRHR1KDM4EMEN1NPC1RAB9A
SCHEMBL6082251 0.83 CRHR1 (0.49) CRHR1HSP90AA1HSP90AB1
SCHEMBL6082635 0.82 IDH2 (0.42) CRHR1HSP90AA1HSP90AB1SCN10ACDC7
SCHEMBL6082630 0.82 IDH2 (0.42) CRHR1HSP90AA1HSP90AB1SCN10ACDC7
SCHEMBL6082842 0.80 IDH2 (0.39) CRHR1HSP90AA1HSP90AB1SCN10ACDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067658-B2 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-27 US disclosed
US-20040082784-A1 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-29 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 (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-20040082784-A1 Pyridino and pyrimidino pyrazinones CRHR1, CRHR2, CRH CRHR1 1/4885KDM4E 3881/4885MEN1 1412/4885

“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.