SCHEMBL4903387

SCHEMBL4903387

Cn1ncc(Br)c1Nc1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
GALR3 O60755 1/20 0.41
APP P05067 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BPTF Q12830 3/20 0.38
KAT2B Q92831 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
GAA P10253 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL4910787 0.82 MAPT (0.50) KDM4EMAPTSMN1; SMN2HTTGALR3
SCHEMBL4903270 0.81 EGFR (0.40) KDM4EMAPTMEN1KMT2AKAT2B
SCHEMBL4913037 0.81 KDM4E (0.50) KDM4EMAPTSMN1; SMN2HTTGALR3
SCHEMBL4908312 0.81 HAVCR2 (0.43) KDM4EMAPTSMN1; SMN2HTTGALR3
SCHEMBL4908676 0.80 HTR2A (0.45) KDM4EMAPTSMN1; SMN2HTTGALR3
SCHEMBL4905855 0.80 BPTF (0.46) KDM4EMAPTSMN1; SMN2HTTGALR3
SCHEMBL4905893 0.80 CREBBP (0.39) KDM4EMAPTSMN1; SMN2HTTGALR3
SCHEMBL4903258 0.77 KIF11 (0.38) KDM4EMAPTSMN1; SMN2HTTGALR3
SCHEMBL4906051 0.77 GSK3B (0.47) KDM4EMAPTHTTALDH1A1MAPK1
SCHEMBL4911346 0.76 BRD4 (0.42) KDM4EMAPTSMN1; SMN2HTTGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-01-17 US disclosed
WO-2006060762-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 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-20080015223-A1 Pyrazole Derivatives as Modulators of the 5-Ht2a Serotonin Receptor Useful for the Treatment of Disorders Related Thereto HTR5A, HTR2A, HTR3A KDM4E 3183/4885MAPT 764/4885SMN1; SMN2 1972/4885

“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.