SCHEMBL4900097

SCHEMBL4900097

Cc1ccc(-c2ccc(Nc3c(Br)cnn3C)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.44
KCNH2 Q12809 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CSF1R P07333 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL4914131 0.90 LMNA (0.41) PIP4K2AKCNH2MAPTKDM4EHTT
SCHEMBL4906416 0.90 BRD4 (0.43) MAPTKDM4EHTTSMN1; SMN2GALR3
SCHEMBL4911346 0.85 BRD4 (0.42) PIP4K2AMAPTKDM4EHTTSMN1; SMN2
SCHEMBL4907250 0.85 BRD4 (0.45) MAPTKDM4ESMN1; SMN2BRD4CREBBP
SCHEMBL4911508 0.84 HTR2A (0.43)
SCHEMBL4905855 0.84 BPTF (0.46) MAPTKDM4EHTTSMN1; SMN2GALR3
SCHEMBL4910787 0.83 MAPT (0.50) MAPTKDM4EHTTSMN1; SMN2GALR3
SCHEMBL4908312 0.82 HAVCR2 (0.43) MAPTKDM4EHTTSMN1; SMN2GALR3
SCHEMBL4900743 0.80 PSEN1 (0.40) GAA
SCHEMBL4913037 0.79 KDM4E (0.50) MAPTKDM4EHTTSMN1; SMN2GALR3

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 PIP4K2A 2022/4885KCNH2 734/4885MAPT 764/4885

“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.