SCHEMBL22349529

SCHEMBL22349529

Cc1cccc(CNc2nc(Cl)nc3c2ncn3C)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.76
CCNE2 O96020 2/20 0.64
CCNE1 P24864 2/20 0.64
CDK2 P24941 2/20 0.64
CTSL P07711 2/20 0.56
ADORA3 P0DMS8 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
YTHDC1 Q96MU7 1/20 0.53
KDM4E B2RXH2 1/20 0.51
CCNB2 O95067 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CCNB1 P14635 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL448405 0.87 CDK1 (0.74) CDK1CCNE2CCNE1CDK2ADORA3
SCHEMBL28771314 0.87 CDK1 (0.74) CDK1CCNE2CCNE1CDK2ADORA3
SCHEMBL7099155 0.87 CDK1 (0.74) CDK1CCNE2CCNE1CDK2ADORA3
SCHEMBL24600966 0.87 CDK1 (0.58) CDK1CTSLADORA3ADORA2AADORA1
SCHEMBL8010398 0.87 CDK1 (1.00) CDK1CCNE2CCNE1CDK2YTHDC1
SCHEMBL17450195 0.86 CDK1 (0.56) CDK1CCNE2CCNE1CDK2CTSL
SCHEMBL22349408 0.82 CDK1 (0.74) CDK1CDK2ADORA2AADORA1CCNB2
SCHEMBL6818091 0.82 CTSL (0.75) CDK1CCNE2CCNE1CDK2CTSL
SCHEMBL17628574 0.81 CDK1 (0.76) CDK1CCNE2CCNE1CDK2ADORA3
SCHEMBL24600965 0.81 ADORA3 (0.55) CDK1CTSLADORA3ADORA2AADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10744209-B2 Biodegradable polymeric nanoparticle conjugates and use thereof NEW YORK UNIVERSITY (US) 2020-08-18 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-10744209-B2 Biodegradable polymeric nanoparticle conjugates and use thereof CD47, SLC46A1, ABCB1 CDK1 3786/4885CCNE2 2009/4885CCNE1 1338/4885

“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.