SCHEMBL18070807

SCHEMBL18070807

O=C(O)C1Cc2c(n(Cc3ccc(F)cc3)c3cc(Cl)ccc23)CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.42
▸ FABP4 P15090 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TBXA2R P21731 5/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
Hydrochloric Acid SCHEMBL18044819 0.99 ENPP2 (0.41) ENPP2FABP4MAPTTP53TBXA2R
Hydrochloric Acid SCHEMBL18044820 0.99 ENPP2 (0.41) ENPP2FABP4MAPTTP53TBXA2R
SCHEMBL16742442 0.86 ENPP2 (0.55) ENPP2FABP4TBXA2RPTGDR2
SCHEMBL30426169 0.86 ENPP2 (0.55) ENPP2FABP4TBXA2RPTGDR2
SCHEMBL16742444 0.86 ENPP2 (0.55) ENPP2FABP4TBXA2RPTGDR2
Hydrochloric Acid SCHEMBL18044813 0.85 ENPP2 (0.54) ENPP2FABP4TBXA2RTSHRPTGDR2
Hydrochloric Acid SCHEMBL18044814 0.85 ENPP2 (0.54) ENPP2FABP4TBXA2RTSHRPTGDR2
SCHEMBL16750324 0.80 ENPP2 (0.45) ENPP2FABP4MAPTTP53TBXA2R
SCHEMBL11017941 0.78 CA1 (0.49) ENPP2FABP4TSHR
SCHEMBL8381090 0.78 CA1 (0.49) ENPP2FABP4TSHR

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
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-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 — — 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 (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 ENPP2 1/4885FABP4 2454/4885MAPT 476/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ENPP2 1/4885FABP4 2454/4885MAPT 476/4885

“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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