SCHEMBL3226785

SCHEMBL3226785

Cc1csc(-c2ncc(C(=O)Nn3ccc4cnccc43)c(C)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.46
▸ TGFBR1 P36897 3/20 0.36
▸ TGFBR2 P37173 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ FLT1 P17948 4/20 0.34
▸ KDR P35968 4/20 0.34
▸ CYP2E1 P05181 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 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
SCHEMBL3226481 0.92 HPGDS (0.46) HPGDSTGFBR1TGFBR2MAPTALDH1A1
SCHEMBL3220407 0.90 HPGDS (0.45) HPGDSTGFBR1TGFBR2NPC1RAB9A
SCHEMBL3213056 0.87 HPGDS (0.47) HPGDSNPC1RAB9AFLT1KDR
SCHEMBL14313094 0.84 TGFBR1 (0.35) HPGDSTGFBR1TGFBR2MAPTALDH1A1
SCHEMBL3230591 0.83 HPGDS (0.45) HPGDSTGFBR1TGFBR2MAPTNPC1
SCHEMBL3220570 0.82 HPGDS (0.46) HPGDSTGFBR1ALDH1A1HPGDTSHR
SCHEMBL3222736 0.79 HPGDS (0.47) HPGDSMAPTNPC1RAB9AMAPK8
SCHEMBL14313355 0.76 TGFBR1 (0.35) HPGDSTGFBR1TGFBR2MAPTALDH1A1
SCHEMBL14313107 0.76 SLC22A12 (0.33) HPGDSTGFBR1TGFBR2FLT1KDR
SCHEMBL3210289 0.73 HPGDS (0.45) HPGDSKDR

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 6 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 claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US claimed
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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HPGDS 10/4885TGFBR1 195/4885TGFBR2 673/4885

“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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