SCHEMBL2735293

SCHEMBL2735293

O=C(Nc1ccc(OC2CCNCC2)cc1)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 5/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
KLF5 Q13887 1/20 0.44
PKM P14618 3/20 0.44
MEN1 O00255 2/20 0.44
KCNH2 Q12809 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MTOR P42345 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
POLB P06746 1/20 0.41
KDM1A O60341 1/20 0.41
LMNA P02545 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
SCHEMBL2759955 0.89 MAPT (0.44) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1
SCHEMBL214390 0.88 KDM4E (0.46) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1
SCHEMBL214471 0.88 KDM1A (0.42) SMN1; SMN2MAPTKMT2AALDH1A1RAB9A
SCHEMBL2735352 0.87 MAPT (0.44) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1
SCHEMBL214144 0.87 KMT2A (0.46) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1
SCHEMBL2735431 0.87 KMT2A (0.46) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1
SCHEMBL214698 0.87 KMT2A (0.46) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL213799 0.87 KDM1A (0.42) SMN1; SMN2MAPTKMT2AALDH1A1RAB9A
SCHEMBL2735288 0.84 MAPT (0.64) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1
SCHEMBL215718 0.84 MAPT (0.52) MAPTKMT2AKDM4EALDH1A1MEN1

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 5 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-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
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 SMN1; SMN2 2516/4885MAPT 2138/4885KMT2A 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.