SCHEMBL4903258

SCHEMBL4903258

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GALR3 O60755 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DHODH Q02127 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 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
SCHEMBL4911756 0.87 KIF11 (0.45) KIF11KDM4EALDH1A1LMNAHPGD
SCHEMBL4910787 0.85 MAPT (0.50) KDM4EMAPTSMN1; SMN2GALR3HTT
SCHEMBL4908312 0.84 HAVCR2 (0.43) KDM4EMAPTSMN1; SMN2GALR3HTT
SCHEMBL4913037 0.84 KDM4E (0.50) ABCG2KDM4EMAPTSMN1; SMN2GALR3
SCHEMBL4905893 0.82 CREBBP (0.39) KDM4EMAPTSMN1; SMN2GALR3HTT
SCHEMBL4905855 0.82 BPTF (0.46) KDM4EMAPTSMN1; SMN2GALR3HTT
SCHEMBL4908676 0.82 HTR2A (0.45) KDM4EMAPTSMN1; SMN2GALR3HTT
SCHEMBL4906051 0.80 GSK3B (0.47) KDM4EMAPTHTTNPC1ALDH1A1
SCHEMBL4911346 0.79 BRD4 (0.42) KDM4EMAPTSMN1; SMN2GALR3HTT
SCHEMBL4911357 0.79 HTR2A (0.51) KIF11SMN1; SMN2HTTKDR

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-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
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 KIF11 4324/4885ABCG2 468/4885KDM4E 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.