SCHEMBL946000

SCHEMBL946000

NC(=O)c1cc(-n2cnc3c2CCCC3)ccn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.43
▸ PDE3A Q14432 5/20 0.43
▸ PDE2A O00408 2/20 0.43
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ CYP11B2 P19099 9/20 0.38
▸ MAP3K5 Q99683 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.34
▸ OPRM1 P35372 3/20 0.33

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
SCHEMBL28953804 0.82 PDE3B (0.40) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL944218 0.81 FGFR1 (0.45) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL28848713 0.80 PDE3B (0.43) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL28848830 0.77 PDE3B (0.43) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL14481945 0.73 PDE3B (0.38) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL28848819 0.72 PIK3C3 (0.39) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL944319 0.71 ALDH1A1 (0.44) PDE3BPDE3AOPRM1
SCHEMBL7381531 0.70 CYP11B2 (0.52) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL30489430 0.70 USP30 (0.47) —
SCHEMBL7425735 0.70 PDE3B (0.52) PDE3BPDE3APDE2APDE1APDE1B

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 9 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-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 (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-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 PDE3B 1481/4885PDE3A 1698/4885PDE2A 2087/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 PDE3B 1391/4885PDE3A 1641/4885PDE2A 2032/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 PDE3B 1481/4885PDE3A 1698/4885PDE2A 2087/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 PDE3B 1396/4885PDE3A 1595/4885PDE2A 2042/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 PDE3B 1481/4885PDE3A 1698/4885PDE2A 2087/4885

“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.

Send feedback