SCHEMBL4908416

SCHEMBL4908416

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
MAP4K1 Q92918 1/20 0.45
KCNH2 Q12809 3/20 0.44
KDR P35968 1/20 0.40
DYRK1A Q13627 1/20 0.40
BCDIN3D Q7Z5W3 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KIT P10721 1/20 0.39
DHODH Q02127 2/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BACE1 P56817 1/20 0.38
SCN10A Q9Y5Y9 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
SCHEMBL4909184 0.89 HTR2A (0.58) HTR2ABRD4CREBBPMAP4K1KCNH2
SCHEMBL4911357 0.88 HTR2A (0.51) HTR2ABRD4CREBBPKDRBCDIN3D
SCHEMBL4910049 0.83 BRD4 (0.47) HTR2ABRD4CREBBPKCNH2KDR
SCHEMBL4907250 0.81 BRD4 (0.45) HTR2ABRD4CREBBPBCDIN3DCYP3A4
SCHEMBL4913037 0.79 KDM4E (0.50) HTR2ABRD4
SCHEMBL4910942 0.79 HTR2A (0.46) HTR2ABRD4CREBBPCYP1A2CYP3A4
SCHEMBL14281210 0.79 MEN1 (0.41) HTR2ABCDIN3DCYP3A4
SCHEMBL4911756 0.77 KIF11 (0.45) HTR2ABRD4CREBBPBCDIN3DCYP1A2
SCHEMBL4909825 0.77 BCDIN3D (0.50) HTR2AKDRDYRK1ABCDIN3DABL1
SCHEMBL5946762 0.76 HTR2A (0.68) HTR2AKCNH2KDR

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
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 HTR2A 2/4885BRD4 3695/4885CREBBP 2879/4885

“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.