SCHEMBL16660237

SCHEMBL16660237

CCCNc1cc(-c2ccc(C(=O)NC)s2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
JMJD7 P0C870 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
LCK P06239 1/20 0.42
MAPK14 Q16539 1/20 0.42
GLA P06280 1/20 0.40
CYP1A2 P05177 4/20 0.40
CLK4 Q9HAZ1 2/20 0.40

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
SCHEMBL16664917 0.84 CYP1A2 (0.44) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL15343107 0.80 HDAC1 (0.53) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL16664982 0.78 CYP1A2 (0.49) KDM4EALDH1A1HPGDLCKMAPK14
SCHEMBL15356474 0.72 HCAR3 (0.45) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL15356563 0.71 CLK4 (0.39) ALDH1A1LMNAKMT2ASMN1; SMN2MAPK14
SCHEMBL19905203 0.71 SLC40A1 (0.38) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL17634777 0.71 PRKDC (0.45) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL19905206 0.70 CYP1A2 (0.37) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL15342936 0.70 PTGDR (0.45) ALDH1A1HPGDLMNAKMT2ACYP1A2
SCHEMBL15343417 0.70 PIK3CA (0.40) HPGDLMNAMAPK14TSHRPIK3CA

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-20150111871-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 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-20150111871-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK KDM4E 910/4885ALDH1A1 2935/4885RAB9A 4213/4885

“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.