SCHEMBL14960622

SCHEMBL14960622

Cn1ccnc1-c1cccc(-n2cccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
TNIK Q9UKE5 2/20 0.42
KDM5B Q9UGL1 1/20 0.42
LMNA P02545 1/20 0.42
GRM5 P41594 2/20 0.41
NMT1 P30419 1/20 0.40
TBK1 Q9UHD2 2/20 0.40
TP53 P04637 1/20 0.39
NOTUM Q6P988 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
IKBKE Q14164 1/20 0.39
METAP2 P50579 1/20 0.39
RIPK2 O43353 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL12277820 0.83 KDM5B (0.46) ERCC1ERCC4TNIKKDM5BLMNA
SCHEMBL12320161 0.82 CYP2A6 (0.44) LMNANMT1RIPK2MEN1ALDH1A1
SCHEMBL14412223 0.81 NMT1 (0.52) NMT1RIPK2HTR2AHTR2C
SCHEMBL12759448 0.77 TGFBR1 (0.48) NMT1RIPK2HTR2AHTR2CMEN1
SCHEMBL254441 0.77 TP53 (0.49) ERCC1ERCC4LMNAGRM5TP53
SCHEMBL20930858 0.77 ERCC1 (0.58) ERCC1ERCC4TNIKKDM5BLMNA
SCHEMBL29635610 0.77 TP53 (0.49) ERCC1ERCC4LMNAGRM5TP53
SCHEMBL12877122 0.77 NMT1 (0.44) NMT1TP53RIPK2HTR2AHTR2C
SCHEMBL17264894 0.76 NMT1 (0.52) NMT1RIPK2HTR2AHTR2C
SCHEMBL514839 0.76 ERCC1 (0.57) ERCC1ERCC4TNIKKDM5BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 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 (3 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E ERCC1 3310/4885ERCC4 2081/4885TNIK 404/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E ERCC1 3257/4885ERCC4 2068/4885TNIK 392/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E ERCC1 3257/4885ERCC4 2068/4885TNIK 392/4885

“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.