SCHEMBL4713845

SCHEMBL4713845

O=c1ccc2c(ccn2Cc2ccccc2)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
MAPK14 Q16539 5/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
PGR P06401 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTR6 P50406 1/20 0.39
NOTUM Q6P988 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38

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
SCHEMBL4714110 0.91 LMNA (0.44) BRD4MAPK8MAPK9HTTSMN1; SMN2
SCHEMBL4715873 0.90 TP53 (0.46) BRD4HTTSMN1; SMN2KDM4ETP53
SCHEMBL5124227 0.90 SMN1; SMN2 (0.43) BRD4HTTSMN1; SMN2KDM4ETP53
SCHEMBL5113137 0.90 HTR6 (0.44) BRD4HTTSMN1; SMN2KDM4ECYP2D6
SCHEMBL4716315 0.89 ALDH1A1 (0.47) MAPK8MAPK9HTTSMN1; SMN2KDM4E
SCHEMBL4716129 0.87 CYP11B1 (0.41) HTTKDM4EALDH1A1KMT2A
SCHEMBL4714450 0.87 RGS4 (0.46) BRD4KDM4ETP53ALDH1A1
SCHEMBL4713858 0.87 MAPT (0.46) BRD4KDM4ETP53HTR6MEN1
SCHEMBL4715904 0.87 POLB (0.46) BRD4KDM4EALDH1A1
SCHEMBL4715863 0.87 CYP3A4 (0.46) PGRHTTSMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456286-B2 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA, S.A. (BE) 2008-11-25 US claimed
US-20060122212-A1 Bicyclic heteroaromatic compounds as kinase inhibitors CELLTECH R&D LIMITED (GB) 2006-06-08 US claimed
US-7456286-B2 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA, S.A. (BE) 2008-11-25 US disclosed
EP-1549648-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS KINASE INHIBITORS UCB PHARMA SA (BE) 2008-11-12 EP disclosed
US-20060122212-A1 Bicyclic heteroaromatic compounds as kinase inhibitors CELLTECH R&D LIMITED (GB) 2006-06-08 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-20060122212-A1 Bicyclic heteroaromatic compounds as kinase inhibitors MAP2K2, MAP2K7, MAP2K3 BRD4 241/4885MAPK14 35/4885MAPK8 42/4885

“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.