SCHEMBL216151

SCHEMBL216151

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc3[nH]ccc3c2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 3/20 0.56
GAA P10253 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PRKCI P41743 1/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
NOTUM Q6P988 1/20 0.44

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
SCHEMBL2735284 0.86 MAPT (0.60) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL216648 0.82 KMT2A (0.57) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14222343 0.79 MAPT (0.50) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL216597 0.78 MAPT (0.54) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14222951 0.78 MAPT (0.67) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14222699 0.77 MAPT (0.78) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4105577 0.77 GAA (0.55) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2735355 0.77 MAPT (0.46) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14222939 0.76 MAPT (0.47) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2759942 0.75 NPC1 (0.54) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 MAPT 2138/4885KMT2A 437/4885KDM4E 952/4885

“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.