SCHEMBL4910787

SCHEMBL4910787

Cn1ncc(Br)c1Nc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GALR3 O60755 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APP P05067 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL4913037 0.89 KDM4E (0.50) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL4908312 0.89 HAVCR2 (0.43) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL4905893 0.88 CREBBP (0.39) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL4908676 0.88 HTR2A (0.45) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL4905855 0.88 BPTF (0.46) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL4906416 0.86 BRD4 (0.43) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL4903258 0.85 KIF11 (0.38) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL4906051 0.85 GSK3B (0.47) MAPTKDM4EHTTALDH1A1MAPK1
SCHEMBL4911346 0.84 BRD4 (0.42) MAPTSMN1; SMN2KDM4EGALR3HTT
SCHEMBL4911756 0.84 KIF11 (0.45) KDM4EALDH1A1LMNAHPGDHSD17B10

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 4 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
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
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 MAPT 764/4885SMN1; SMN2 1972/4885KDM4E 3183/4885

“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.