SCHEMBL4912294

SCHEMBL4912294

Cn1ncc(Br)c1Nc1ccc(-c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
GAA P10253 5/20 0.44
MAPK1 P28482 3/20 0.44
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2A6 P11509 1/20 0.41
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4913037 0.87 KDM4E (0.50) BRD4GAAMAPK1ALDH1A1MAPT
SCHEMBL4905893 0.86 CREBBP (0.39) CREBBPGAAMAPK1ALDH1A1MAPT
SCHEMBL4910787 0.83 MAPT (0.50) GAAMAPK1ALDH1A1MAPTHTT
SCHEMBL4908312 0.81 HAVCR2 (0.43) BRD4CREBBPGAAMAPK1ALDH1A1
SCHEMBL4908676 0.80 HTR2A (0.45) BRD4CREBBPALDH1A1MAPTHTT
SCHEMBL4905855 0.80 BPTF (0.46) BRD4CREBBPGAAMAPK1ALDH1A1
SCHEMBL14281210 0.79 MEN1 (0.41) ALDH1A1CYP3A4MAPTSMN1; SMN2KDM4E
SCHEMBL4910942 0.79 HTR2A (0.46) BRD4CREBBPGAAMAPK1ALDH1A1
SCHEMBL4907250 0.79 BRD4 (0.45) BRD4CREBBPGAAALDH1A1CYP3A4
SCHEMBL4909053 0.78 MEN1 (0.39) ALDH1A1CYP2A6MAPTHTTSMN1; 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 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

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 2879/4885GAA 2817/4885

“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.