SCHEMBL3080697

SCHEMBL3080697

CC(=O)Nc1ccc(O)c(-c2ccn(C)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.55
KDM4D Q6B0I6 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
KDM5B Q9UGL1 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
MAOA P21397 1/20 0.43
CHRNE Q04844 3/20 0.43
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 1/20 0.42
TNNI3 P19429 1/20 0.42

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
SCHEMBL29574226 0.83 NPC1 (0.62) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16504459 0.79 KDM5A (0.59) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL366947 0.75 IDO1 (0.50) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL11180492 0.74 KDM5A (0.55) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL2064347 0.73 KDM4C (0.51) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL1095844 0.72 CASP6 (0.51) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5197572 0.71 KDM5A (0.52) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6617432 0.71 KDM5A (0.46) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL3192352 0.70 PKM (0.65) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL1095492 0.69 KMT2A (0.55) MAPTMEN1KMT2ARAB9AKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186748-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATERS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-9783502-B2 Crystalline forms and processes for the preparation of phenyl-pyrazoles useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2017-10-10 US disclosed
US-20160272591-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2016-09-22 US disclosed
US-9199940-B2 Crystalline forms and processes for the preparation of phenyl-pyrazoles useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
EP-2018372-B1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARM INC (US) 2015-05-13 EP disclosed
US-20130296321-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2013-11-07 US disclosed
US-8481535-B2 Crystalline forms and processes for the preparation of phenyl-pyrazoles useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20100234380-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2010-09-16 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 (4 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-20130296321-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR2A, HTR5A, HTR2C KDM5A 746/4885KDM4D 3170/4885KDM4C 2776/4885
US-20180186748-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATERS OF THE 5-HT2A SEROTONIN RECEPTOR HTR2A, HTR5A, HTR2C KDM5A 1007/4885KDM4D 3455/4885KDM4C 3162/4885
US-20100234380-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR2A, HTR5A, HTR2C KDM5A 746/4885KDM4D 3170/4885KDM4C 2776/4885
US-20160272591-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR2A, HTR5A, HTR2C KDM5A 746/4885KDM4D 3170/4885KDM4C 2776/4885

“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.