SCHEMBL16377818

SCHEMBL16377818

COc1cc2c(cc1Br)-c1c(c(C(=O)NC3(C)COC3)nn1-c1ccsc1)CO2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL16377727 0.89 MAPT (0.31) MAPT
SCHEMBL16377698 0.88 CCNA2 (0.30) CCNA2CDK2CCNA1
SCHEMBL16377707 0.88 HTR2A (0.32) CCNA2CDK2CCNA1TP53POLB
SCHEMBL16377726 0.88 MAPT (0.32) TP53POLBMAPT
SCHEMBL16377954 0.88 — —
SCHEMBL22626643 0.85 CCNA2 (0.35) CCNA2CDK2CCNA1POLBMAPT
SCHEMBL16333638 0.85 CCNA2 (0.39) CCNA2CDK2CCNA1MAPT
SCHEMBL16334004 0.85 CNR2 (0.33) CCNA2CDK2CCNA1CNR1CNR2
SCHEMBL17783226 0.82 PIK3CD (0.36) —
SCHEMBL16377699 0.82 TP53 (0.30) CCNA2CDK2CCNA1TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
WO-2014209980-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 — — 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 (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-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CCNA2 4041/4885CDK2 602/4885CCNA1 3826/4885

“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.

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