SCHEMBL14330589

SCHEMBL14330589

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4ccc5c6c(ccc3c46)cc3c5c4ccncc4n3-c3ccccc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.37
▸ CDK4 P11802 3/20 0.35
▸ CDK6 Q00534 3/20 0.35
▸ KCNH2 Q12809 3/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ TNF P01375 1/20 0.33
▸ MAPK10 P53779 1/20 0.32
▸ AOC3 Q16853 4/20 0.32
▸ REN P00797 1/20 0.32
▸ PRKCZ Q05513 1/20 0.32
▸ PRKD2 Q9BZL6 1/20 0.32
▸ HASPIN Q8TF76 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TOP2A P11388 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL14330548 0.91 TNF (0.36) DYRK1AKCNH2GSK3BTNFMAPK10
SCHEMBL14329625 0.87 CDK4 (0.39) DYRK1ACDK4CDK6KCNH2GSK3B
SCHEMBL14330575 0.86 CDK4 (0.35) DYRK1ACDK4CDK6KCNH2GSK3B
SCHEMBL14330588 0.85 KDM4E (0.36) DYRK1ACDK4CDK6KCNH2GSK3B
SCHEMBL14330593 0.85 DYRK1A (0.37) DYRK1ACDK4CDK6KCNH2GSK3B
SCHEMBL14331578 0.84 MGAT2 (0.38) DYRK1ATNFHASPINCYP19A1
SCHEMBL14330572 0.84 CYP11B1 (0.37) DYRK1ACDK4CDK6KCNH2GSK3B
SCHEMBL14330584 0.84 CDK4 (0.34) DYRK1ACDK4CDK6KCNH2GSK3B
SCHEMBL12731465 0.83 CYP11B1 (0.41) MEN1KMT2AMAPTALDH1A1
SCHEMBL14330600 0.83 DYRK1A (0.39) DYRK1ACDK4CDK6KCNH2GSK3B

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 3897/4885CDK4 17/4885CDK6 732/4885

“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.

Send feedback