SCHEMBL3228095

SCHEMBL3228095

Cc1nc(-c2ccccc2)ncc1C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
DGAT1 O75907 1/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 3/20 0.48
POLB P06746 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CRHBP P24387 1/20 0.47

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
SCHEMBL403150 0.87 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL3228101 0.85 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL16220587 0.85 KMT2A (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11812869 0.84 MEN1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3222305 0.83 HPGDS (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3217950 0.80 HPGDS (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3572484 0.79 ALDH1A1 (0.78) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13274916 0.75 KMT2A (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5736742 0.74 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL25719742 0.74 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104418800-B Aryl pyrrole (phonetic) pyridine class compound and application thereof 沈阳中化农药化工研发有限公司 2017-06-16 CN disclosed
CN-104418800-A Aryl pyridine/pyrimidine compound and application thereof SINOCHEM CORP 2015-03-18 CN disclosed
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 CN disclosed
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
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 CN 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

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 KMT2A 3378/4885MEN1 4322/4885ALDH1A1 298/4885

“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.