SCHEMBL7127531

SCHEMBL7127531

Cc1nc(-c2cc3nccc(Cl)c3s2)sc1C(C)(C)O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.31
CCND1 P24385 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CDK6 Q00534 1/20 0.30
CDK4 P11802 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL7123618 0.80 MCHR1 (0.32) MCHR1CCND1CDK6CDK4
SCHEMBL5838366 0.78 KDM4E (0.53) KDM4EGAARAB9A
SCHEMBL5838404 0.78 KDM4E (0.41) KDM4EGAARAB9A
SCHEMBL4707651 0.78 KDM4E (0.32) MCHR1KDM4ERAB9A
SCHEMBL5837975 0.74 KDM4E (0.57) KDM4EGAARAB9A
SCHEMBL7125950 0.73 MCHR1 (0.35) MCHR1RAB9A
SCHEMBL7121125 0.73 EGFR (0.57)
SCHEMBL7127856 0.73 PDE10A (0.40) MCHR1KDM4EGLAGAARAB9A
SCHEMBL7122716 0.72 MCHR1 (0.33) MCHR1CCND1CDK6CDK4
SCHEMBL5241545 0.72 MCHR1 (0.31) MCHR1

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-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US disclosed
US-6492383-B1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2002-12-10 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 (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-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents TYMP, DPYD, HPRT1 MCHR1 3278/4885CCND1 14/4885KDM4E 3560/4885

“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.