SCHEMBL17829683

SCHEMBL17829683

CNCCCNc1nc(-c2ccc3c(cnn3C)c2)nc2c(C)cccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
TGFBR1 P36897 7/20 0.39
MAPK14 Q16539 5/20 0.39
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 2/20 0.37
SYK P43405 1/20 0.36
AR P10275 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
TRPA1 O75762 1/20 0.35
NOTUM Q6P988 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
SCHEMBL17833229 0.89 RAD52 (0.50) KDM1ATGFBR1MAPK14KMT2AKDM4E
SCHEMBL17833191 0.82 RAD52 (0.42) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL17833189 0.80 KMT2A (0.39) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL17833192 0.76 PRKCI (0.40) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL17833283 0.75 SYK (0.40) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL17829910 0.74 SYK (0.44) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL17833237 0.74 KMT2A (0.39) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL17833278 0.74 CYP11B2 (0.38) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL17833161 0.73 KMT2A (0.40) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL17833238 0.73 TNKS (0.41) KDM1AKMT2AKDM4EALDH1A1RAD52

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 KDM1A 4599/4885TGFBR1 3916/4885MAPK14 266/4885

“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.