SCHEMBL215671

SCHEMBL215671

Cc1cccc(CNC(=O)c2c(C(N)=O)ncn2-c2ccccc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ASAH1 Q13510 2/20 0.44
POLB P06746 1/20 0.44
ADORA2A P29274 2/20 0.43
PPARG P37231 1/20 0.43
ADORA1 P30542 1/20 0.43
NR3C1 P04150 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX7 Q99572 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL213156 0.81 LMNA (0.46) MMP13ALDH1A1HPGDTP53POLB
SCHEMBL216710 0.75 MMP13 (0.45) MMP13ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL214874 0.72 RAB9A (0.50) ALDH1A1KDM4EHPGDTP53SMN1; SMN2
SCHEMBL14284368 0.68 MMP13 (0.60) MMP13ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18715381 0.68 MMP13 (0.71) MMP13ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12262931 0.67 POLB (0.49) MMP13ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5527522 0.66 KDM4E (0.61) MMP13ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL215765 0.66 PI4KA (0.43) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL7015936 0.66 MMP13 (0.68) MMP13ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20102657 0.66 MMP13 (0.56) MMP13ALDH1A1KDM4EHPGDHSD17B10

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 8 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
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 MMP13 2314/4885ALDH1A1 4295/4885KDM4E 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.