SCHEMBL29670686

SCHEMBL29670686

COc1cc2c(cc1C=C(C)C)-c1c(c(C(=O)NCCCN)nn1-c1ccsc1)CO2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.35
▸ CCNA2 P20248 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CCNA1 P78396 3/20 0.34
▸ MAPT P10636 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ CNR1 P21554 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ SLC6A4 P31645 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
SCHEMBL16377938 0.93 RAD52 (0.35) RAD52CCNA2CDK2CCNA1MAPT
SCHEMBL16377982 0.92 RAD52 (0.37) RAD52CCNA2CDK2CCNA1MAPT
SCHEMBL16377775 0.92 RAD52 (0.36) RAD52CCNA2CDK2CCNA1MAPT
SCHEMBL17783208 0.90 RAD52 (0.33) RAD52CCNA2CDK2CCNA1TP53
SCHEMBL16377842 0.90 CNR1 (0.36) RAD52CDK2ALDH1A1CNR1KMT2A
SCHEMBL17783210 0.88 CCNA2 (0.33) RAD52CCNA2CDK2CCNA1MAPT
SCHEMBL16377978 0.88 KMT2A (0.34) RAD52ALDH1A1ACKR3KDM4EKMT2A
SCHEMBL16377937 0.87 CCNA2 (0.32) RAD52CCNA2CDK2CCNA1
SCHEMBL16377972 0.87 RAD52 (0.33) RAD52CCNA2CDK2CCNA1MAPT
SCHEMBL24519307 0.87 RAD52 (0.37) RAD52CCNA2CDK2CCNA1

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 RAD52 4685/4885CCNA2 4041/4885CDK2 602/4885

“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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