SCHEMBL16591995

SCHEMBL16591995

Fc1ccc(Cn2ccc3ccc(Cl)nc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ KMT2A Q03164 1/20 0.42
▸ STAT6 P42226 1/20 0.42
▸ SRC P12931 7/20 0.41
▸ FLT3 P36888 5/20 0.41
▸ FYN P06241 5/20 0.41
▸ DBH P09172 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ MITF O75030 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL30424558 0.83 KMT2A (0.48) KMT2ASTAT6SRCFYNHRH3
SCHEMBL24334961 0.83 KMT2A (0.48) KMT2ASTAT6SRCFYNHRH3
SCHEMBL15687459 0.80 STAT6 (0.40) MAPTTHRBSTAT6SRCFLT3
SCHEMBL16794770 0.79 ENPP2 (0.47) MAPTTHRBKMT2AENPP2ALDH1A1
SCHEMBL24334965 0.78 CYP11B1 (0.39) MAPTKMT2AALDH1A1CYP11B1CYP11B2
SCHEMBL29365816 0.77 HTR2C (0.34) KMT2A
SCHEMBL22824293 0.77 HTR2C (0.34) KMT2A
SCHEMBL9278020 0.76 TP53 (0.45) MAPTKMT2ASTAT6SRCFLT3
SCHEMBL28954745 0.75 HDAC1 (0.40) MAPTKMT2ADBHALDH1A1PKM
SCHEMBL30180530 0.75 HDAC1 (0.40) MAPTKMT2ADBHALDH1A1PKM

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 7 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
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 MAPT 693/4885THRB 3673/4885KMT2A 1453/4885

“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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