SCHEMBL215678

SCHEMBL215678

CCC(Oc1ccc2[nH]c(NC(=O)c3[nH]cnc3C(=O)Nc3ccc(C)cc3C)nc2c1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 6/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 4/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 5/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 2/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL215377 0.87 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL215677 0.86 MAPT (0.43) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL14222343 0.86 MAPT (0.50) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL215041 0.84 KMT2A (0.43) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL2735364 0.84 MAPT (0.43) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL214444 0.83 KMT2A (0.41) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL213251 0.83 KMT2A (0.42) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL215789 0.83 KMT2A (0.43) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL14222939 0.82 MAPT (0.47) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL2735414 0.82 KMT2A (0.53) ALDH1A1KMT2AKDM4EMAPTSMN1; 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 6 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-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP 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 ALDH1A1 4295/4885KMT2A 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.