SCHEMBL16586481

SCHEMBL16586481

O=Cc1cn(Cc2ccc(F)cc2)c2nc(Cl)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.60
▸ ALDH1A1 P00352 6/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ HTT P42858 4/20 0.56
▸ THRB P10828 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ SOS1 Q07889 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FGFR1 P11362 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ APP P05067 1/20 0.37
▸ SNCA P37840 1/20 0.37

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
SCHEMBL6706747 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTKMT2ALMNA
SCHEMBL21043473 0.79 ALDH1A1 (0.56) ENPP2ALDH1A1SMN1; SMN2HTTTHRB
SCHEMBL17968561 0.76 ENPP2 (1.00) ENPP2ALDH1A1THRBRXFP1KMT2A
SCHEMBL17968559 0.76 ENPP2 (1.00) ENPP2ALDH1A1THRBRXFP1KMT2A
SCHEMBL16596364 0.75 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HTTTHRBKMT2A
SCHEMBL16591993 0.73 ENPP2 (0.80) ENPP2ALDH1A1SMN1; SMN2THRBRXFP1
SCHEMBL8690446 0.72 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTKMT2ALMNA
SCHEMBL25169082 0.71 ALDH1A1 (0.45) ENPP2ALDH1A1SMN1; SMN2RXFP1KMT2A
SCHEMBL16591995 0.70 MAPT (0.45) ENPP2ALDH1A1HTTTHRBKMT2A
SCHEMBL22001748 0.68 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTTHRBKMT2A

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-9951026-B2 Heterocyclic vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2018-04-24 — — US disclosed
US-9951026-B2 Heterocyclic vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2018-04-24 — — US disclosed
US-9951026-B2 Heterocyclic vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2018-04-24 — — US disclosed
US-20160229809-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-11 — — US disclosed
US-20160229809-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-11 — — US disclosed
US-20160229809-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-11 — — US disclosed
EP-3046909-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-07-27 — — EP disclosed
WO-2015042052-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-03-26 — — WO disclosed
WO-2015042052-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-03-26 — — WO 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-20160229809-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, UACA ENPP2 1/4885ALDH1A1 4308/4885SMN1; SMN2 2867/4885

“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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