SCHEMBL986290

SCHEMBL986290

NC(=O)c1nccc(-c2nnc[nH]2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.39
CSNK1A1 P48729 1/20 0.39
TYRO3 Q06418 1/20 0.39
FYN P06241 1/20 0.38
NUDT1 P36639 1/20 0.38
ADORA2A P29274 1/20 0.38
PRKCI P41743 1/20 0.36
BCAT2 O15382 1/20 0.36
CDC7 O00311 4/20 0.36
MAP2 P11137 2/20 0.35
MAP2K1 Q02750 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAP2K3 P46734 1/20 0.35
IKBKB O14920 2/20 0.34
CYP3A4 P08684 1/20 0.34
CCNT1 O60563 1/20 0.34
JAK2 O60674 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
PRKCB P05771 1/20 0.34

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
SCHEMBL986288 0.90 FYN (0.38) DYRK1BCSNK1A1TYRO3FYNNUDT1
SCHEMBL2848953 0.81 ADORA2A (0.46) DYRK1BFYNADORA2APRKCIBCAT2
SCHEMBL980181 0.79 IDO1 (0.47) FYNADORA2ACDC7MAP2CYP3A4
SCHEMBL15153064 0.79 CHEK2 (0.36) DYRK1BCSNK1A1TYRO3NUDT1ADORA2A
Formamide SCHEMBL29058737 0.76 ADORA2A (0.42) DYRK1BFYNADORA2APRKCIBCAT2
SCHEMBL978876 0.75 IKBKB (0.33) ADORA2AMAP2IKBKBJAK2
SCHEMBL4408036 0.75 CCNC (0.39) DYRK1BCSNK1A1TYRO3NUDT1IKBKB
SCHEMBL29503449 0.74 CSNK1A1 (0.58) DYRK1BCSNK1A1TYRO3NUDT1BCAT2
SCHEMBL15153060 0.73 CHEK2 (0.36) ADORA2A
SCHEMBL4408031 0.73 CCNC (0.32) PRKCIJAK2CCNCCDK8

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 DYRK1B 861/4885CSNK1A1 503/4885TYRO3 656/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 DYRK1B 861/4885CSNK1A1 503/4885TYRO3 656/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 DYRK1B 914/4885CSNK1A1 450/4885TYRO3 716/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 DYRK1B 861/4885CSNK1A1 503/4885TYRO3 656/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 DYRK1B 802/4885CSNK1A1 440/4885TYRO3 582/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 DYRK1B 861/4885CSNK1A1 503/4885TYRO3 656/4885

“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.