SCHEMBL14907701

SCHEMBL14907701

N=C(NCc1cccc(N)c1)NCc1ccnc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
ELANE P08246 1/20 0.38
PRKCI P41743 2/20 0.37
EGFR P00533 3/20 0.36
IGF1R P08069 3/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT2 P31751 1/20 0.36
NUDT1 P36639 2/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
ROCK2 O75116 2/20 0.35
CIT O14578 1/20 0.35
MET P08581 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
ROCK1 Q13464 1/20 0.34
BTK Q06187 1/20 0.34
BRAF P15056 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL14907646 0.89 ROCK2 (0.43) RETELANEPRKCIAURKARPS6KB1
SCHEMBL14907647 0.89 ALDH1A1 (0.42) RETELANEPRKCIEGFRIGF1R
SCHEMBL14907674 0.83 PRKCI (0.36) RETELANEPRKCIEGFRIGF1R
SCHEMBL16141574 0.81 IKBKB (0.39) RETELANEPRKCIEGFRIGF1R
SCHEMBL14907738 0.81 PRKCI (0.37) RETELANEPRKCIEGFRIGF1R
SCHEMBL14907655 0.81 RET (0.43) RETPRKCINUDT1CITROCK1
SCHEMBL14907677 0.77 ALDH1A1 (0.45) RETPRKCIAKT2NUDT1CDC7
SCHEMBL14907714 0.75 VCP (0.48) RETROCK2CITROCK1BTK
Hydrochloric Acid SCHEMBL538973 0.75 PRKCI (0.42) RETPRKCIIGF1RAKT2NUDT1
SCHEMBL14907951 0.73 ALDH1A1 (0.40) RETROCK2METROCK1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B RET 2315/4885ELANE 4117/4885PRKCI 669/4885

“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.