SCHEMBL214164

SCHEMBL214164

CCCCc1ccccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 4/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
XBP1 P17861 1/20 0.37
MAPT P10636 3/20 0.35
HDAC1 Q13547 1/20 0.35
BCHE P06276 1/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC4 Q9UBN4 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL215043 0.95 KDM4E (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL214872 0.92 MAPT (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL212932 0.87 PIK3CD (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL214714 0.84 MAPT (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL213795 0.84 HSD17B10 (0.49) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL214646 0.82 EPHB3 (0.44) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL213503 0.82 STK33 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL216074 0.82 KDM4E (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL214272 0.82 KDM4E (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL215595 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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 4295/4885SMN1; SMN2 2516/4885NPC1 3307/4885

“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.