SCHEMBL4909053

SCHEMBL4909053

Cn1ncc(Br)c1Nc1ccc(-c2ccc(Cl)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PIK3CD O00329 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 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
CYP2A6 P11509 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR2A P28223 2/20 0.35
GALR3 O60755 1/20 0.35
HTT P42858 1/20 0.35
BPTF Q12830 2/20 0.34
KCNQ3 O43525 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
SCHEMBL4908676 0.86 HTR2A (0.45) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4910787 0.83 MAPT (0.50) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4910964 0.82 KDM1A (0.41) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4913037 0.81 KDM4E (0.50) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4908312 0.81 HAVCR2 (0.43) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4900772 0.81 KCNH2 (0.41) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4905893 0.80 CREBBP (0.39) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4905855 0.80 BPTF (0.46) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4910942 0.79 HTR2A (0.46) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4912294 0.78 BRD4 (0.44) MEN1KMT2AKDM4EMAPTSMN1; SMN2

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 MEN1 3885/4885KMT2A 1390/4885PIK3CD 3514/4885

“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.