SCHEMBL3716064

SCHEMBL3716064

Cc1cc2ccccc2n1NC(=O)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ KAT6A Q92794 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ ATR Q13535 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ AHR P35869 1/20 0.36

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
SCHEMBL12083701 0.91 HPGDS (0.42) HPGDSCSNK1DWNT3AKAT6AHDAC1
SCHEMBL12083980 0.88 HPGDS (0.52) HPGDSALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14312850 0.85 CSNK1D (0.39) HPGDSALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14312772 0.81 HPGDS (0.40) HPGDSALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12083690 0.80 LMNA (0.43) HPGDSCYP3A4CYP2C19HDAC2MAPT
SCHEMBL3219997 0.80 HPGDS (0.41) HPGDSWNT3AKAT6AATRHDAC1
SCHEMBL12083549 0.79 HPGDS (0.52) HPGDSCSNK1DWNT3AHDAC1HDAC6
SCHEMBL14312733 0.77 CSNK1D (0.39) HPGDSCSNK1DWNT3A
SCHEMBL12083668 0.77 HPGDS (0.52) HPGDSKAT6ACYP3A4CYP2C9CYP2C19
SCHEMBL12083555 0.76 HPGDS (0.49) HPGDSALDH1A1CSNK1DHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP disclosed
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
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO 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 10/4885ALDH1A1 298/4885KDM4E 2494/4885

“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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