SCHEMBL4905893

SCHEMBL4905893

Cn1ncc(Br)c1Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.39
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
GALR3 O60755 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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 0.88 MAPT (0.50) MAPTKDM4ESMN1; SMN2HTTGALR3
SCHEMBL4913037 0.86 KDM4E (0.50) MAPTKDM4ESMN1; SMN2HTTGALR3
SCHEMBL4908312 0.86 HAVCR2 (0.43) CREBBPMAPTKDM4ESMN1; SMN2HTT
SCHEMBL4912294 0.86 BRD4 (0.44) CREBBPMAPTKDM4ESMN1; SMN2HTT
SCHEMBL4908676 0.85 HTR2A (0.45) CREBBPMAPTKDM4ESMN1; SMN2HTT
SCHEMBL4905855 0.85 BPTF (0.46) CREBBPMAPTKDM4ESMN1; SMN2HTT
SCHEMBL4911756 0.84 KIF11 (0.45) CREBBPKDM4EALDH1A1LMNAHPGD
SCHEMBL4909325 0.83 GAA (0.39) MAPTKDM4ESMN1; SMN2HTTGALR3
SCHEMBL4903258 0.82 KIF11 (0.38) MAPTKDM4ESMN1; SMN2HTTGALR3
SCHEMBL4906051 0.82 GSK3B (0.47) CREBBPMAPTKDM4EHTTALDH1A1

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-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 claimed
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 claimed
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

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 CREBBP 2879/4885MAPT 764/4885KDM4E 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.