SCHEMBL4636076

SCHEMBL4636076

O=C(Nc1ccccc1)c1cnc(-c2ccncc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
JAK2 O60674 1/20 0.63
TYK2 P29597 1/20 0.63
POLB P06746 1/20 0.60
STAT3 P40763 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RAB9A P51151 4/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 3/20 0.58
KCNK3 O14649 1/20 0.56
P4HTM Q9NXG6 1/20 0.55
GAA P10253 2/20 0.54
PRKDC P78527 1/20 0.54
ATR Q13535 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NAMPT P43490 3/20 0.54
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL4636456 0.85 NPC1 (0.65) HTTPOLBSTAT3SMN1; SMN2RAB9A
SCHEMBL27847195 0.84 PTPN1 (0.63) HTTJAK2TYK2POLBSTAT3
SCHEMBL4636445 0.83 NPC1 (0.61) POLBRAB9AKDM4EALDH1A1NPC1
SCHEMBL946432 0.81 HTT (1.00) HTTJAK2TYK2POLBSTAT3
SCHEMBL22573544 0.80 LMNA (0.64) HTTJAK2TYK2SMN1; SMN2RAB9A
SCHEMBL27828346 0.79 HTT (0.64) HTTJAK2TYK2POLBSTAT3
SCHEMBL6448103 0.79 POLB (0.81) HTTJAK2TYK2POLBSTAT3
SCHEMBL4636337 0.78 HPGDS (0.63) HTTJAK2TYK2RAB9AKDM4E
SCHEMBL164882 0.78 JAK2 (1.00) HTTJAK2TYK2POLBSTAT3
SCHEMBL4636611 0.78 CHRNB2 (0.63) POLBSTAT3SMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US claimed
CN-101538246-A Pyrimidine amide compounds as pgds inhibitors AVENTIS PHARMA INC 2009-09-23 CN claimed
CN-101282943-A Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC (US) 2008-10-08 CN claimed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US claimed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP claimed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 WO claimed
CN-101538246-B Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC 2014-07-16 CN disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
CN-101538246-A Pyrimidine amide compounds as pgds inhibitors AVENTIS PHARMA INC 2009-09-23 CN disclosed
CN-101282943-A Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC (US) 2008-10-08 CN disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 WO disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S HTT 4390/4885JAK2 1338/4885TYK2 1617/4885

“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.