SCHEMBL213423

SCHEMBL213423

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(OCC3CCNCC3)cc2C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 7/20 0.47
KDM4E B2RXH2 5/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 6/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM1A O60341 1/20 0.40
USP2 O75604 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
SCHEMBL2735419 0.89 CHEK2 (0.41) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL214815 0.89 MAPT (0.41) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL14222256 0.89 ALDH1A1 (0.46) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL214382 0.89 ALDH1A1 (0.46) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL215296 0.88 MAPT (0.40) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL215125 0.88 ALDH1A1 (0.45) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL2735459 0.85 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL2735394 0.85 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL14222346 0.82 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL215162 0.80 KDM4E (0.52) MAPTSMN1; SMN2ALDH1A1KMT2AKDM4E

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 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 2138/4885SMN1; SMN2 2516/4885RAB9A 2213/4885

“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.