SCHEMBL213970

SCHEMBL213970

NC(=O)c1c(C(=O)NCc2ccccc2)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
EGLN1 Q9GZT9 1/20 0.43
IDO1 P14902 1/20 0.43
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
PIN1 Q13526 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ADORA2A P29274 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL215699 0.92 MAPT (0.43) SMN1; SMN2TP53KMT2AKDM4EPOLB
SCHEMBL213851 0.90 L3MBTL1 (0.46) SMN1; SMN2TP53RAB9AALDH1A1GAA
SCHEMBL213518 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KMT2AKDM4EPOLB
SCHEMBL213583 0.87 SLC40A1 (0.48) ALDH1A1KDM4EMAPK1ADORA2A
SCHEMBL213719 0.86 ALDH1A1 (0.44) SMN1; SMN2TP53RAB9AALDH1A1GAA
SCHEMBL216143 0.84 NPC1 (0.49) SMN1; SMN2TP53RAB9AALDH1A1GAA
SCHEMBL215002 0.84 PIK3CD (0.43) SMN1; SMN2TP53RAB9AALDH1A1KMT2A
SCHEMBL213906 0.82 CNR1 (0.44) SMN1; SMN2RAB9AGAAPOLBMAPT
SCHEMBL215644 0.80 KDM4E (0.41) SMN1; SMN2RAB9AALDH1A1GAAKMT2A
SCHEMBL213707 0.80 BACE1 (0.44) SMN1; SMN2EGLN1RAB9AALDH1A1KMT2A

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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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

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 SMN1; SMN2 2516/4885EGLN1 2341/4885IDO1 668/4885

“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.