SCHEMBL2735449

SCHEMBL2735449

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccc(OC3CCNCC3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHEK2 O96017 1/20 0.38
GAA P10253 2/20 0.37
TOP2A P11388 5/20 0.37
HSP90AB1 P08238 4/20 0.37
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
MEN1 O00255 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
HIF1A Q16665 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL214824 0.94 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL213801 0.93 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL10268072 0.90 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL214626 0.90 KDM4E (0.39) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL214698 0.88 KMT2A (0.46) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL216022 0.87 CHEK2 (0.46) ALDH1A1KMT2AMAPTCHEK2TOP2A
SCHEMBL2735463 0.86 GAA (0.47) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL215859 0.85 TOP2A (0.42) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL2735383 0.85 TOP2A (0.42) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL216261 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMAPTSMN1; 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 2 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-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 ALDH1A1 4295/4885KMT2A 437/4885KDM4E 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.