SCHEMBL14330566

SCHEMBL14330566

Cc1cc(-n2c3ccncc3c3c4ccc5ccc(-c6ccccc6)c6ccc(cc32)c4c56)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.34
▸ S1PR1 P21453 3/20 0.34
▸ S1PR3 Q99500 3/20 0.34
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ MET P08581 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14331586 0.93 GPBAR1 (0.39) GPBAR1S1PR1S1PR3METAP2TNF
SCHEMBL14330549 0.85 MGAT2 (0.35) METAP2TNFHPGD
SCHEMBL14330526 0.84 TOP1 (0.37) S1PR1S1PR3FLT1FLT4KDR
SCHEMBL14331577 0.81 MGAT2 (0.38) METAP2TNFHPGD
SCHEMBL14330548 0.80 TNF (0.36) TNF
SCHEMBL14330551 0.79 TNF (0.38) S1PR1S1PR3TNFHPGD
SCHEMBL14329614 0.78 KIF11 (0.38) ELANETDP2
SCHEMBL14330583 0.78 MGAT2 (0.35) METAP2HPGD
SCHEMBL14330536 0.77 KDM4E (0.35) METAP2TNFHPGD
SCHEMBL15865944 0.77 KIF11 (0.42) METAP2TDP2

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 1775/4885S1PR1 4407/4885S1PR3 4688/4885

“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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