SCHEMBL3220407

SCHEMBL3220407

Cc1nc(-c2nc(Cl)cs2)ncc1C(=O)Nn1ccc2cnccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.45
▸ FLT1 P17948 8/20 0.35
▸ KDR P35968 8/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ TGFBR1 P36897 1/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ AHR P35869 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
SCHEMBL3230591 0.93 HPGDS (0.45) HPGDSSLC22A12TGFBR1TGFBR2NPC1
SCHEMBL3226785 0.90 HPGDS (0.46) HPGDSFLT1KDRTGFBR1TGFBR2
SCHEMBL3213056 0.85 HPGDS (0.47) HPGDSFLT1KDRSLC22A12NPC1
SCHEMBL14313107 0.85 SLC22A12 (0.33) HPGDSFLT1KDRSLC22A12TGFBR1
SCHEMBL3210289 0.83 HPGDS (0.45) HPGDSKDRSLC22A12CHRM1
SCHEMBL3226481 0.83 HPGDS (0.46) HPGDSTGFBR1TGFBR2NPC1RAB9A
SCHEMBL3219653 0.78 HPGDS (0.34) HPGDSSLC22A12NPC1RAB9ACHRM1
SCHEMBL14312739 0.78 SLC22A12 (0.33) HPGDSSLC22A12TGFBR1TGFBR2
SCHEMBL3222736 0.78 HPGDS (0.47) HPGDSSLC22A12NPC1RAB9A
SCHEMBL14313094 0.77 TGFBR1 (0.35) HPGDSSLC22A12TGFBR1TGFBR2NPC1

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 10/4885FLT1 777/4885KDR 2997/4885

“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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