SCHEMBL17789730

SCHEMBL17789730

COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)NC3CCOC3)nn1-c1ccsc1)CO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR3 P22607 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ PIK3R2 O00459 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ PIK3R5 Q8WYR1 2/20 0.32
▸ PIK3R3 Q92569 2/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ METTL3 Q86U44 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ PDE3A Q14432 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
SCHEMBL16377840 0.91 HPGDS (0.33) HPGDSPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16377787 0.89 MAPT (0.31) TTK
SCHEMBL17789695 0.89 KMT2A (0.31) KMT2ATTK
SCHEMBL17789738 0.89 KMT2A (0.31) KMT2ATTK
SCHEMBL22626622 0.89 KMT2A (0.31) KMT2ATTK
SCHEMBL16377786 0.87 BRD4 (0.32) HPGDSPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL19326993 0.86 MAPT (0.34) —
SCHEMBL29670696 0.85 CCNA2 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377782 0.85 CCNA2 (0.33) —
SCHEMBL16339733 0.85 CCNA2 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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 4 patents. 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
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 FGFR3 228/4885HPGDS 3128/4885PIK3CD 927/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR FGFR3 228/4885HPGDS 3128/4885PIK3CD 927/4885

“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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