SCHEMBL4929003

SCHEMBL4929003

COc1c(Br)cc(Cl)cc1OCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
HTR7 P34969 2/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
UTS2R Q9UKP6 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2A P28223 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 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
SCHEMBL11774217 0.77 KDM4E (0.50) MAPTKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL31641561 0.76 HTR7 (0.60) MAPTHTR7KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11771650 0.76 KDM4E (0.49) MAPTKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL4931129 0.72 HTR3E (0.49) MAPTCYP2C19HTR2A
SCHEMBL30930936 0.72 CA2 (0.52) MAPTSMN1; SMN2
SCHEMBL3563397 0.71 MAPT (0.45) MAPTHTR7KDM4EALDH1A1SMN1; SMN2
SCHEMBL11448408 0.70 HRH3 (0.56) MAPTHTR7KDM4EALDH1A1HRH3
SCHEMBL8188932 0.70 HTR7 (0.49) MAPTHTR7KDM4EALDH1A1SMN1; SMN2
SCHEMBL4045745 0.70 HTR7 (0.49) MAPTHTR7KDM4EALDH1A1SMN1; SMN2
SCHEMBL15730490 0.70 HTR7 (0.60) MAPTHTR7KDM4EALDH1A1SMN1; 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-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 MAPT 4051/4885HTR7 2882/4885KDM4E 1558/4885

“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.