SCHEMBL29670825

SCHEMBL29670825

COc1cc2c(cc1-c1ccnn1C)-c1c(c(C(=O)O)nn1-c1ccsc1)CO2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ HTR2A P28223 4/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ USP30 Q70CQ3 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R2 O00459 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PIK3R5 Q8WYR1 1/20 0.30
▸ PIK3R3 Q92569 1/20 0.30
▸ ROCK2 O75116 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
SCHEMBL17783225 1.00 CCNA2 (0.37) CCNA2CDK2CCNA1HTR2AHTR2C
SCHEMBL16377803 0.89 HTR2A (0.33) HTR2AHTR2CUSP30PDE10ANR1H4
SCHEMBL22607647 0.87 USP30 (0.33) CCNA2CDK2CCNA1HTR2AHTR2C
SCHEMBL29670696 0.87 CCNA2 (0.36) CCNA2CDK2CCNA1NR1H4TGFBR1
SCHEMBL16339733 0.87 CCNA2 (0.36) CCNA2CDK2CCNA1NR1H4TGFBR1
SCHEMBL16377707 0.87 HTR2A (0.32) CCNA2CDK2CCNA1HTR2AHTR2C
SCHEMBL16377712 0.85 TP53 (0.32) CCNA2CDK2CCNA1HTR2AHTR2C
SCHEMBL16333638 0.85 CCNA2 (0.39) CCNA2CDK2CCNA1NR1H4MAPT
SCHEMBL29670764 0.85 CCNA2 (0.35) CCNA2CDK2CCNA1NR1H4MAPT
SCHEMBL16339421 0.85 CCNA2 (0.35) CCNA2CDK2CCNA1NR1H4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 — — 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-11365199-B2 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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