SCHEMBL5014341

SCHEMBL5014341

CCc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 3/20 0.42
ADORA1 P30542 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXRA P19793 2/20 0.42
NR4A2 P43354 2/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
PDE4B Q07343 2/20 0.41
PDE4D Q08499 2/20 0.41
DHODH Q02127 1/20 0.41
LMNA P02545 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5509874 0.87 KDM4E (0.55) KDM4EADORA3RAB9ATP53HSD17B10
SCHEMBL23575126 0.83 DPP4 (0.42) KDM4ERAB9ATP53HSD17B10RXRA
SCHEMBL10475598 0.77 DHODH (0.52) KDM4EADORA3RAB9ATP53HSD17B10
SCHEMBL4636265 0.74 ALDH1A1 (0.49) KDM4EADORA3ADORA2AADORA1RAB9A
SCHEMBL8949551 0.73 GAA (0.47) KDM4ERAB9AALDH1A1DHODHLMNA
SCHEMBL5521948 0.73 KDM4E (0.56) KDM4EADORA3RAB9ATP53HSD17B10
SCHEMBL8034388 0.73 CTRC (0.51) KDM4EADORA3RAB9AHSD17B10RXRA
SCHEMBL23605382 0.73 KDM4E (0.50) KDM4EADORA3RAB9ATP53HSD17B10
SCHEMBL5961069 0.72 FABP3 (0.49) KDM4EADORA3RAB9ATP53HSD17B10
SCHEMBL9870568 0.72 DPP4 (0.50) DHODHDPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S KDM4E 2888/4885ADORA3 88/4885ADORA2A 156/4885

“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.