SCHEMBL16750324

SCHEMBL16750324

O=C(O)[C@@H]1Cc2c(n(Cc3ccc(F)cc3)c3cc(Cl)ccc23)CN1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.45
▸ FABP4 P15090 3/20 0.41
▸ TBXA2R P21731 5/20 0.39
▸ MAPT P10636 2/20 0.38
▸ 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
▸ TP53 P04637 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 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
SCHEMBL16750276 0.86 ENPP2 (0.59) ENPP2FABP4TBXA2RHDAC1HDAC6
SCHEMBL18070807 0.80 ENPP2 (0.42) ENPP2FABP4TBXA2RMAPTKDM4E
Hydrochloric Acid SCHEMBL18044820 0.79 ENPP2 (0.41) ENPP2FABP4TBXA2RMAPTKDM4E
Hydrochloric Acid SCHEMBL18044819 0.79 ENPP2 (0.41) ENPP2FABP4TBXA2RMAPTKDM4E
SCHEMBL16750321 0.75 ENPP2 (0.47) ENPP2HDAC1HDAC6PTGS1PTGS2
SCHEMBL16750267 0.74 ENPP2 (0.46) ENPP2HDAC1HDAC6PTGDR2
SCHEMBL20248013 0.73 ENPP2 (0.52) ENPP2TBXA2RKDM4EHDAC1HDAC6
SCHEMBL16750334 0.73 ENPP2 (0.72) ENPP2HDAC1HDAC6PTGS1PTGS2
SCHEMBL18044821 0.71 ENPP2 (0.56) ENPP2FABP4TBXA2RHDAC1HDAC6
SCHEMBL16742433 0.70 ENPP2 (0.52) ENPP2FABP4TBXA2RCYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 — — US disclosed
WO-2015077502-A1 TETRACYCLIC AUTOTAXIN INHIBITORS PHARMAKEA, INC. (US) 2015-05-28 — — 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-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ENPP2 1/4885FABP4 2454/4885TBXA2R 975/4885

“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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