SCHEMBL4636639

SCHEMBL4636639

O=C(Nc1ccccc1)c1cnc(-c2ccccc2F)nc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ATR Q13535 1/20 0.55
P4HTM Q9NXG6 3/20 0.54
HTT P42858 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
PTPN1 P18031 1/20 0.47
CXCR1 P25024 1/20 0.47
CXCR2 P25025 1/20 0.47
MAP4K1 Q92918 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL1543152 0.84 KDM4E (0.60) NPC1RAB9AALDH1A1KDM4EATR
SCHEMBL20653087 0.84 NPC1 (0.55) NPC1RAB9AKDM4EP4HTMHTT
SCHEMBL22573364 0.81 ATR (0.61) NPC1RAB9AALDH1A1ATRHTT
SCHEMBL4636142 0.80 DHODH (0.48) NPC1RAB9AP4HTMHTT
SCHEMBL4636445 0.79 NPC1 (0.61) NPC1RAB9AALDH1A1KDM4EATR
SCHEMBL5934547 0.76 PTPN1 (0.61) NPC1RAB9AATRP4HTMMEN1
SCHEMBL4560198 0.76 KDM4E (0.65) NPC1RAB9AALDH1A1KDM4EATR
SCHEMBL4636266 0.75 NPC1 (0.60) NPC1RAB9AALDH1A1KDM4EATR
SCHEMBL28207102 0.75 PTPN1 (0.66) NPC1RAB9AKDM4EATRP4HTM
SCHEMBL5934848 0.74 P4HTM (0.55) NPC1RAB9AALDH1A1KDM4EATR

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 19 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
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP 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 NPC1 1707/4885RAB9A 2462/4885ALDH1A1 871/4885

“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.