SCHEMBL12083909

SCHEMBL12083909

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1ccc2cc(N)ccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.51
▸ CSNK1D P48730 2/20 0.41
▸ MAP4K4 O95819 7/20 0.38
▸ DGAT1 O75907 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ POLQ O75417 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34

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
SCHEMBL3217764 0.92 HPGDS (0.54) HPGDSCSNK1DMAP4K4DGAT1POLQ
SCHEMBL3810374 0.89 HPGDS (0.51) HPGDSCSNK1DMAP4K4DGAT1POLQ
SCHEMBL2471757 0.89 HPGDS (0.54) HPGDSCSNK1DMAP4K4DGAT1ATR
SCHEMBL14041378 0.88 HPGDS (0.51) HPGDSCSNK1DMAP4K4DGAT1POLQ
SCHEMBL12083923 0.87 HPGDS (0.54) HPGDSCSNK1DDGAT1
SCHEMBL12083724 0.87 HPGDS (0.50) HPGDSCSNK1DEPHX2PPARGPOLQ
SCHEMBL12084048 0.86 HPGDS (0.49) HPGDSCSNK1DMAP4K4DGAT1ALOX5AP
SCHEMBL12084161 0.86 HPGDS (0.49) HPGDSCSNK1D
SCHEMBL12083978 0.85 HPGDS (0.49) HPGDSMAP4K4DGAT1
SCHEMBL3717427 0.84 HPGDS (0.51) HPGDSCSNK1DMAP4K4DGAT1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HPGDS 10/4885CSNK1D 1144/4885MAP4K4 2134/4885

“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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