SCHEMBL14330584

SCHEMBL14330584

Fc1c(F)c(F)c(-c2ccc3ccc4c5c(ccc2c35)cc2c4c3ccncc3n2-c2ccccc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 3/20 0.34
▸ CDK6 Q00534 3/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ REN P00797 4/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ METAP2 P50579 2/20 0.31
▸ AOC3 Q16853 2/20 0.31
▸ TOP2A P11388 1/20 0.31
▸ NOS2 P35228 2/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30

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
SCHEMBL14330547 0.92 MAPK9 (0.32) MAPK9MAPK10RENCYP1A2METAP2
SCHEMBL14330589 0.84 DYRK1A (0.37) CDK4CDK6DYRK1AMAPK10REN
SCHEMBL14330572 0.83 CYP11B1 (0.37) CDK4CDK6DYRK1ARENKCNH2
SCHEMBL14330586 0.83 DYRK1A (0.36) DYRK1AKCNH2GSK3BTOP2A
SCHEMBL14330623 0.81 CDK4 (0.37) CDK4CDK6DYRK1ARENKCNH2
SCHEMBL14330575 0.81 CDK4 (0.35) CDK4CDK6DYRK1AKCNH2GSK3B
SCHEMBL14330503 0.81 REN (0.32) REN
SCHEMBL14330600 0.81 DYRK1A (0.39) CDK4CDK6DYRK1ARENKCNH2
SCHEMBL14330593 0.81 DYRK1A (0.37) CDK4CDK6DYRK1ARENKCNH2
SCHEMBL14330588 0.81 KDM4E (0.36) CDK4CDK6DYRK1ARENKCNH2

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 CDK4 17/4885CDK6 732/4885DYRK1A 3897/4885

“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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