SCHEMBL19533707

SCHEMBL19533707

Cc1nn(C)c2c(=O)n(CC(F)(F)F)nc(N)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ AURKA O14965 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ RET P07949 1/20 0.31
▸ CDK8 P49336 2/20 0.31
▸ ACVR1 Q04771 2/20 0.31
▸ PDE5A O76074 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ LTK P29376 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ MAP2K2 P36507 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30

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
SCHEMBL19533711 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCDK8
SCHEMBL19533710 0.79 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCDK8
SCHEMBL19544638 0.77 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCDK8
SCHEMBL19533288 0.77 AURKA (0.33) AURKASYKAURKBRET
SCHEMBL19533712 0.69 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DCDK8
SCHEMBL19533708 0.64 PARP1 (0.36) PDE4APDE4BPDE4CPDE4DCDK8
SCHEMBL19533709 0.64 IDO1 (0.36) PDE4APDE4BPDE4CPDE4DCDK8
SCHEMBL25750514 0.61 SCN9A (0.34) AURKASYKAURKBRETPDE5A
SCHEMBL15450970 0.60 NOS3 (0.36) PDE4APDE4BPDE4CPDE4DRET
SCHEMBL17812986 0.60 AURKA (0.32) AURKASYKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 — — US disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 — — 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 (1 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-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN PDE4A 868/4885PDE4B 863/4885PDE4C 889/4885

“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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