SCHEMBL17199629

SCHEMBL17199629

Nc1cnc(C2=CCCCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATR Q13535 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
TBK1 Q9UHD2 1/20 0.39
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PSMB5 P28074 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PIK3R1 P27986 1/20 0.36
PTPN11 Q06124 1/20 0.35

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
SCHEMBL20400910 0.77 TDP1 (0.46) TDP1CASP3SENP8SENP7SENP6
SCHEMBL21988063 0.76 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6
SCHEMBL31307013 0.76 TDP1 (0.53) TDP1CASP3SENP8SENP7SENP6
SCHEMBL20400887 0.74 TDP1 (0.46) TDP1CASP3SENP8SENP7SENP6
SCHEMBL28430342 0.74 TDP1 (0.46) TDP1CASP3SENP8SENP7SENP6
SCHEMBL29419390 0.73 PIK3CA (0.60) PIK3CAMTORPIK3R1
SCHEMBL21988028 0.73 CSF1R (0.44) TDP1CASP3SENP8SENP7SENP6
SCHEMBL16679862 0.73 PIK3CA (0.60) PIK3CAMTORPIK3R1
SCHEMBL16679803 0.71 FEN1 (0.33) PIK3CAMTORNOS3NOS1NOS2
SCHEMBL16679471 0.69 FEN1 (0.39) PIK3CAMTORPIK3R1FEN1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
WO-2015158283-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. (US) 2015-10-22 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 (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-10280184-B2 Heterocyclic kinase inhibitors MAP3K1, MAP3K20, MAP3K19 TDP1 2346/4885CASP3 1276/4885SENP8 2950/4885
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 TDP1 2346/4885CASP3 1276/4885SENP8 2950/4885
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 TDP1 2366/4885CASP3 1276/4885SENP8 2788/4885

“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.