SCHEMBL14330586

SCHEMBL14330586

Fc1c(F)c(F)c(-n2c3cnccc3c3c4ccc5ccc(-c6ccccc6)c6ccc(cc32)c4c56)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.36
▸ TNF P01375 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ CYP17A1 P05093 3/20 0.33
▸ CYP11B1 P15538 3/20 0.33
▸ CYP11B2 P19099 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ IMPDH2 P12268 1/20 0.32
▸ NFATC1 O95644 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ GCGR P47871 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ TOP2A P11388 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
SCHEMBL14330551 0.92 TNF (0.38) DYRK1ATNFCYP17A1CYP11B1CYP11B2
SCHEMBL14330584 0.83 CDK4 (0.34) DYRK1AKCNH2GSK3BTOP2A
SCHEMBL14330589 0.82 DYRK1A (0.37) DYRK1ATNFKCNH2HASPINMAPT
SCHEMBL14331578 0.81 MGAT2 (0.38) DYRK1ATNFCYP17A1CYP11B1CYP11B2
SCHEMBL14330575 0.81 CDK4 (0.35) DYRK1ATNFKCNH2HASPINMAPT
SCHEMBL14330505 0.81 TOP1 (0.35) KDM4E
SCHEMBL14330570 0.81 TNF (0.36) DYRK1ATNFKCNH2HASPINMAPT
SCHEMBL14330593 0.78 DYRK1A (0.37) DYRK1ATNFKCNH2GSK3B
SCHEMBL14330583 0.78 MGAT2 (0.35) DYRK1ACYP17A1CYP11B1CYP11B2CYP3A4
SCHEMBL10034217 0.78 — —

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 4 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-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
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 DYRK1A 3897/4885TNF 1386/4885KCNH2 2141/4885

“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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