SCHEMBL4910049

SCHEMBL4910049

Cn1ncc(Br)c1Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
KIF11 P52732 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
EPHX2 P34913 2/20 0.43
MAPKAPK2 P49137 1/20 0.42
KCNH2 Q12809 1/20 0.41
AKR1C3 P42330 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
FYN P06241 1/20 0.39
IDO1 P14902 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAOB P27338 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
SCHEMBL4911756 0.87 KIF11 (0.45) BRD4CREBBPKIF11HTR2AHTR2C
SCHEMBL4907250 0.84 BRD4 (0.45) BRD4CREBBPHTR2AHTR2CMAPT
SCHEMBL4908416 0.83 HTR2A (0.51) BRD4CREBBPHTR2AKCNH2KDR
SCHEMBL4913037 0.82 KDM4E (0.50) BRD4HTR2AEPHX2MAPTMAPK1
SCHEMBL14281210 0.81 MEN1 (0.41) HTR2AMAPKAPK2MAPT
SCHEMBL4910942 0.81 HTR2A (0.46) BRD4CREBBPHTR2AHTR2CMAPKAPK2
SCHEMBL4908516 0.81 HTR2A (0.40) HTR2AHTR2CEPHX2NR3C1
SCHEMBL4909812 0.80 HTR2A (0.41) KIF11HTR2AHTR2CKCNH2KDR
SCHEMBL4906416 0.79 BRD4 (0.43) BRD4CREBBPHTR2AHTR2CMAPT
SCHEMBL4901251 0.78 BCDIN3D (0.45) BRD4HTR2AEPHX2MAPT

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 BRD4 3695/4885CREBBP 2879/4885KIF11 4324/4885

“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.