SCHEMBL18070824

SCHEMBL18070824

CC(C)(C#N)c1cn(Cc2ccc(F)cc2)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ APP P05067 4/20 0.45
▸ SNCA P37840 4/20 0.45
▸ CNR2 P34972 2/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ TP53 P04637 1/20 0.41
▸ HTR6 P50406 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ ENPP2 Q13822 1/20 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
SCHEMBL16750284 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL16750287 0.81 CNR2 (0.48) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL16750295 0.77 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL16750294 0.76 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL16750286 0.74 CNR2 (0.47) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL19260892 0.73 DGAT1 (0.35) APPSNCACNR2CNR1HTR6
SCHEMBL6706747 0.72 ALDH1A1 (0.64) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9278001 0.71 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL5559147 0.71 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL24163776 0.71 APP (0.60) PDE4APDE4BPDE4CPDE4DAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 — — US disclosed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 — — US disclosed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 — — US disclosed
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 — — US disclosed
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 — — US disclosed
CN-105764903-A Tetracyclic autotaxin inhibitors 法玛克亚公司 2016-07-13 — — CN 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 (2 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-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA PDE4A 2959/4885PDE4B 3344/4885PDE4C 2530/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA PDE4A 2959/4885PDE4B 3344/4885PDE4C 2530/4885

“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