SCHEMBL216662

SCHEMBL216662

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3ccc(OCC(=O)O)cc3[nH]2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 6/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 3/20 0.43
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 5/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40

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
SCHEMBL2735332 0.93 KMT2A (0.45) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL2735333 0.91 ALDH1A1 (0.42) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL216400 0.90 LMNA (0.46) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL2735276 0.90 KMT2A (0.53) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL2735414 0.90 KMT2A (0.53) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL215400 0.88 TUBB4A (0.43) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL2735334 0.87 ALDH1A1 (0.43) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL215290 0.86 MAPT (0.39) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL215041 0.85 KMT2A (0.43) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL2735419 0.85 CHEK2 (0.41) MAPTALDH1A1KMT2AKDM4ESMN1; 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 10 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
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 MAPT 2138/4885ALDH1A1 4295/4885KMT2A 437/4885

“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.