SCHEMBL14330575

SCHEMBL14330575

c1ccc(-c2ccc3ccc4c5c(ccc2c35)cc2c4c3ccncc3n2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 3/20 0.35
▸ CDK6 Q00534 3/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TOP2A P11388 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ RAC2 P15153 1/20 0.31
▸ RAC3 P60763 1/20 0.31
▸ CDC42 P60953 1/20 0.31
▸ RAC1 P63000 1/20 0.31
▸ AOC3 Q16853 2/20 0.31
▸ HASPIN Q8TF76 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ METAP2 P50579 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
SCHEMBL14330536 0.93 KDM4E (0.35) CDK4CDK6DYRK1AKDM4EATM
SCHEMBL14330588 0.92 KDM4E (0.36) CDK4CDK6DYRK1AKDM4EATM
SCHEMBL14330589 0.86 DYRK1A (0.37) CDK4CDK6DYRK1ATOP2ATNF
SCHEMBL14330546 0.85 KDM4E (0.37) DYRK1AKDM4EATML3MBTL1TOP2A
SCHEMBL12731465 0.85 CYP11B1 (0.41) KDM4EATML3MBTL1MAPTCYP1A2
SCHEMBL14330492 0.83 KDM4E (0.35) KDM4EATML3MBTL1NPY5R
SCHEMBL14330576 0.83 MAOA (0.39) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL16484933 0.83 TNF (0.37) CDK4CDK6DYRK1AKDM4ETNF
SCHEMBL14330593 0.82 DYRK1A (0.37) CDK4CDK6DYRK1ATNFKCNH2
SCHEMBL2601541 0.82 KDM4E (0.36) KDM4EATML3MBTL1

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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