SCHEMBL946421

SCHEMBL946421

Cc1ncn(-c2cccnc2C(N)=O)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ MYC P01106 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ P2RX7 Q99572 1/20 0.36
▸ HCRTR1 O43613 3/20 0.36
▸ HCRTR2 O43614 3/20 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
SCHEMBL15407732 0.79 MYC (0.44) ALDH1A1MYCMKNK1MKNK2KDM4E
SCHEMBL945052 0.76 TP53 (0.44) KDM4EMAPTIRAK4PARP1
SCHEMBL945137 0.76 MYC (0.38) ALDH1A1MYCMKNK1MKNK2KDM4E
SCHEMBL945426 0.73 CYP2A6 (0.41) ALDH1A1CYP1A2MYCKDM4ELMNA
SCHEMBL14938379 0.72 HCRTR1 (0.44) ALDH1A1MYCKDM4EHCRTR1HCRTR2
SCHEMBL312316 0.72 GAA (0.43) ALDH1A1CYP1A2MYCMKNK1MKNK2
SCHEMBL14481945 0.71 PDE3B (0.38) MYCP2RX7IRAK4L3MBTL1
SCHEMBL944619 0.71 FGFR1 (0.51) ALDH1A1HPGDMYCMKNK1MKNK2
SCHEMBL162188 0.71 L3MBTL1 (0.50) ALDH1A1CYP1A2HPGDHSD17B10MYC
SCHEMBL947484 0.71 IDO1 (0.50) ALDH1A1CYP1A2CYP2D6MYCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2017-07-13 — — US disclosed
US-9586932-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-03-07 — — US disclosed
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-05-12 — — US disclosed
US-9067933-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-06-30 — — US disclosed
US-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2014-01-16 — — US disclosed
US-8598360-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-12-03 — — US disclosed
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 — — US disclosed
US-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 — — US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 — — US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 — — 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 (6 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-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALDH1A1 4244/4885CYP1A2 3871/4885CYP2D6 3287/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALDH1A1 4244/4885CYP1A2 3871/4885CYP2D6 3287/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 ALDH1A1 4337/4885CYP1A2 3806/4885CYP2D6 3210/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALDH1A1 4244/4885CYP1A2 3871/4885CYP2D6 3287/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 ALDH1A1 4158/4885CYP1A2 3578/4885CYP2D6 2990/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALDH1A1 4244/4885CYP1A2 3871/4885CYP2D6 3287/4885

“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.

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