SCHEMBL14330583

SCHEMBL14330583

COc1cc(C)cc(-n2c3cnccc3c3c4ccc5ccc(-c6ccccc6)c6ccc(cc32)c4c56)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGAT2 Q10469 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ CYP11B1 P15538 5/20 0.34
▸ CYP11B2 P19099 5/20 0.34
▸ CYP17A1 P05093 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ DGAT2 Q96PD7 7/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ BRAF P15056 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL14331578 0.94 MGAT2 (0.38) MGAT2G6PDMETAP2CYP11B1CYP11B2
SCHEMBL14330549 0.93 MGAT2 (0.35) MGAT2G6PDMETAP2CYP11B1CYP11B2
SCHEMBL14331577 0.86 MGAT2 (0.38) MGAT2G6PDMETAP2CYP11B1CYP11B2
SCHEMBL14330499 0.83 TOP1 (0.38) G6PDMETAP2HPGDTSHR
SCHEMBL14330589 0.81 DYRK1A (0.37) DYRK1A
SCHEMBL14329637 0.79 CYP19A1 (0.41) G6PDCYP3A4HPGD
SCHEMBL14331114 0.78 CDK4 (0.42) G6PDCYP11B1CYP11B2CYP3A4DYRK1A
SCHEMBL14330586 0.78 DYRK1A (0.36) CYP11B1CYP11B2CYP17A1CYP3A4HPGD
SCHEMBL14330575 0.78 CDK4 (0.35) METAP2DYRK1A
SCHEMBL14330566 0.78 GPBAR1 (0.34) METAP2HPGD

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 MGAT2 2806/4885G6PD 716/4885METAP2 3997/4885

“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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