SCHEMBL946120

SCHEMBL946120

Cc1ncn(-c2cccc(C(N)=O)c2)c1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.51
▸ PARP15 Q460N3 1/20 0.51
▸ PARP10 Q53GL7 1/20 0.51
▸ FGFR1 P11362 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PIK3R2 O00459 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41

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
SCHEMBL22114469 0.79 FGFR1 (0.57) FGFR1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL944319 0.79 ALDH1A1 (0.44) FGFR1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL6757787 0.78 ALDH1A1 (0.49) FGFR1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL22583692 0.76 FGFR1 (0.72) FGFR1
SCHEMBL29993296 0.76 FGFR1 (0.72) FGFR1
SCHEMBL7120206 0.74 CYP1A2 (0.51) FGFR1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL9826870 0.74 GAA (0.51) PARP1FGFR1ALDH1A1HPGDROCK2
SCHEMBL22114467 0.73 FGFR1 (0.59) FGFR1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL22510633 0.73 ALDH1A1 (0.63) FGFR1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL944218 0.71 FGFR1 (0.45) PARP1PARP15PARP10FGFR1ROCK2

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 PARP1 585/4885PARP15 588/4885PARP10 876/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 PARP1 585/4885PARP15 588/4885PARP10 876/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 PARP1 578/4885PARP15 581/4885PARP10 871/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 PARP1 585/4885PARP15 588/4885PARP10 876/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 PARP1 538/4885PARP15 543/4885PARP10 840/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 PARP1 585/4885PARP15 588/4885PARP10 876/4885

“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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