SCHEMBL14331586

SCHEMBL14331586

FC(F)(F)c1cc(-n2c3ccncc3c3c4ccc5ccc(-c6ccccc6)c6ccc(cc32)c4c56)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 12/20 0.39
▸ METAP2 P50579 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ MET P08581 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL14330566 0.93 GPBAR1 (0.34) GPBAR1METAP2TNFS1PR1S1PR3
SCHEMBL14330548 0.83 TNF (0.36) TNF
SCHEMBL14331577 0.83 MGAT2 (0.38) METAP2TNFHPGDCYP11B1CYP11B2
SCHEMBL14330551 0.82 TNF (0.38) TNFS1PR1S1PR3HPGDCYP11B1
SCHEMBL14331585 0.82 TOP1 (0.40) METAP2S1PR1S1PR3MET
SCHEMBL14330536 0.81 KDM4E (0.35) METAP2TNFHPGD
SCHEMBL15865944 0.81 KIF11 (0.42) METAP2
SCHEMBL14330557 0.80 TNF (0.33) TNF
SCHEMBL14330549 0.80 MGAT2 (0.35) METAP2TNFHPGDCYP11B1CYP11B2
SCHEMBL14329611 0.79 MAPK10 (0.39) TNF

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-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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 (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-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D GPBAR1 1775/4885METAP2 3997/4885TNF 1386/4885

“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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