SCHEMBL15315567

SCHEMBL15315567

Cc1cc(-n2cnc(C)c2)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 13/20 0.54
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTK2 Q05397 1/20 0.39
NTRK1 P04629 1/20 0.38
DDR1 Q08345 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
DDR2 Q16832 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
KCNH2 Q12809 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

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
SCHEMBL12372948 0.91 NR2E1 (0.58) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL10104281 0.85 NR2E1 (0.73) NR2E1
SCHEMBL21902011 0.84 NR2E1 (0.51) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL9609575 0.84 NR2E1 (0.71) NR2E1
SCHEMBL21849215 0.80 NOTUM (0.37) NR2E1CYP1A2CYP2D6CYP2C9PTK2
SCHEMBL15315527 0.79 CYP2C19 (0.36) NR2E1CYP1A2CYP2C19NTRK1DDR1
SCHEMBL22604349 0.79 CYP2E1 (0.51) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL10183719 0.79 CYP2E1 (0.51) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL270618 0.77 CYP1A2 (0.53) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL10310480 0.76 NR2E1 (0.45) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 US disclosed
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-06-07 US disclosed
US-20170349588-A1 1H-1,8-NAPHTHYRIDIN-2-ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2017-12-07 US disclosed
US-9765072-B2 1H-1,8-naphthyridin-2ones as anti proliferative compounds NATCO PHARMA LIMITED (US) 2017-09-19 US disclosed
US-20170114057-A1 1H-1,8-NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2017-04-27 US disclosed
US-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 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 (5 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-20170349588-A1 1H-1,8-NAPHTHYRIDIN-2-ONES AS ANTI PROLIFERATIVE COMPOUNDS ABL1, MKI67, MCL1 NR2E1 1283/4885CYP2E1 1395/4885CYP2A6 2141/4885
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK NR2E1 2458/4885CYP2E1 4424/4885CYP2A6 3398/4885
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK NR2E1 3413/4885CYP2E1 4536/4885CYP2A6 3717/4885
US-20170114057-A1 1H-1,8-NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS ABL1, MKI67, ABL2 NR2E1 1510/4885CYP2E1 1310/4885CYP2A6 1399/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 NR2E1 1561/4885CYP2E1 2042/4885CYP2A6 2552/4885

“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.