SCHEMBL9956071

SCHEMBL9956071

Nc1nccc(-c2cnc(N)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.64
CCNT1 O60563 2/20 0.53
CCNA2 P20248 2/20 0.53
CDK2 P24941 2/20 0.53
CDK9 P50750 2/20 0.53
MAPK14 Q16539 7/20 0.52
CSNK1E P49674 3/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
HASPIN Q8TF76 1/20 0.51
FEN1 P39748 1/20 0.50
MAPK13 O15264 2/20 0.48
CSNK1D P48730 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
EGFR P00533 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAP3K14 Q99558 1/20 0.47
ADORA2A P29274 2/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6581932 0.81 MAPK14 (0.51) ADORA1CCNT1CCNA2CDK2CDK9
SCHEMBL17200126 0.80 HSP90AA1 (0.66) CCNT1CCNA2CDK2CDK9MAPK14
SCHEMBL7222483 0.80 ADORA1 (0.75) ADORA1MAPK14CSNK1ECDK5CDK5R1
SCHEMBL7210550 0.80 ADORA1 (0.75) ADORA1MAPK14CSNK1ECDK5CDK5R1
SCHEMBL1645470 0.78 CCNT1 (0.53) ADORA1CCNT1CCNA2CDK2CDK9
SCHEMBL9956075 0.78 ADORA1 (0.77) ADORA1FEN1ADORA2AKMT2AMAPK1
SCHEMBL28937364 0.77 ADORA1 (0.62) ADORA1ADORA2AKMT2ARPS6KA3
SCHEMBL22789740 0.76 MAP4K4 (0.64) CCNT1CCNA2CDK2CDK9MAPK14
SCHEMBL14519513 0.75 MAPK14 (0.55) CCNT1CCNA2CDK2CDK9MAPK14
SCHEMBL23275774 0.74 CDK5 (0.44) ADORA1CCNT1CCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655340-B1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2015-01-21 EP disclosed
US-8901147-B2 Bi-heteroaryl compounds as Vps34 inhibitors NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2014-06-05 US disclosed
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2013-12-19 US disclosed
EP-2655340-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS Novartis AG (CH) 2013-10-30 EP disclosed
WO-2012085815-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2012-06-28 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 (2 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-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A ADORA1 3948/4885CCNT1 2833/4885CCNA2 3470/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A ADORA1 3909/4885CCNT1 2820/4885CCNA2 3469/4885

“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.