SCHEMBL4636617

SCHEMBL4636617

O=C(Nc1ccccc1)c1cnc(C2CCCCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.55
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NAMPT P43490 1/20 0.52
P4HTM Q9NXG6 1/20 0.51
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
HPGD P15428 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
DEGS1 O15121 1/20 0.48
ADCY1 Q08828 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK5 Q00535 1/20 0.47
EPHX1 P07099 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
SCHEMBL4636092 0.76 KDM4E (0.49) KDM4EALDH1A1P4HTMHDAC3HDAC6
SCHEMBL2565608 0.75 HDAC8 (0.76) RAB9AKDM4ENPC1NAMPTHDAC3
SCHEMBL27739189 0.74 ALDH1A1 (0.46) RAB9AKDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL4560198 0.73 KDM4E (0.65) ATRRAB9AKDM4ENPC1ALDH1A1
SCHEMBL31703794 0.73 KCNQ3 (0.54) RAB9ANPC1ALDH1A1HDAC6SMN1; SMN2
SCHEMBL26154132 0.73 HDAC8 (0.68) RAB9AKDM4ENPC1NAMPTHDAC3
SCHEMBL2568499 0.73 HDAC8 (0.73) RAB9AKDM4ENPC1NAMPTHDAC3
SCHEMBL14113553 0.72 TRPV1 (0.61) RAB9ANPC1ALDH1A1NAMPTHDAC3
SCHEMBL11627450 0.71 NAMPT (0.52) ATRRAB9AKDM4EALDH1A1NAMPT
SCHEMBL4636166 0.71 MAPK1 (0.45) RAB9AKDM4ENPC1ALDH1A1HDAC3

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 ATR 2558/4885RAB9A 2462/4885KDM4E 2888/4885

“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.