SCHEMBL3087891

SCHEMBL3087891

Nc1cccc(NC(=O)c2ccccn2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.70
HDAC6 Q9UBN7 2/20 0.70
KDR P35968 8/20 0.68
KCNK3 O14649 1/20 0.68
KCNK9 Q9NPC2 1/20 0.68
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
EGFR P00533 1/20 0.59
ERBB2 P04626 1/20 0.59
MET P08581 1/20 0.59
MERTK Q12866 1/20 0.59
DDX3X O00571 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56

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
SCHEMBL7990375 0.89 KDR (0.84) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL4002795 0.85 GRM4 (0.53) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL2528081 0.83 GRM4 (0.72) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL2530324 0.83 GRM4 (1.00) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL29496401 0.83 GRM4 (1.00) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL3099628 0.82 NPC1 (0.65) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL3087888 0.82 KCNK3 (0.74) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL22574189 0.82 GRM4 (0.55) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL4002797 0.82 ABL1 (0.74) EGFR
SCHEMBL231897 0.81 KDR (0.78) GRM4HDAC6KDRKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS GRM4 1898/4885HDAC6 1587/4885KDR 3027/4885

“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.