SCHEMBL14330581

SCHEMBL14330581

c1ccc(-n2c3cnccc3c3c4ccc5ccc(-c6cccc7c6sc6ccccc67)c6ccc(cc32)c4c56)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ PRKDC P78527 4/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CDK4 P11802 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CYP17A1 P05093 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL14330545 0.93 CCNC (0.33) CCNCCDK8PRKDCALOX5PIK3CD
SCHEMBL14330579 0.84 TNF (0.33) ALOX5
SCHEMBL14330498 0.83 PRKDC (0.32) PRKDCALOX5PIK3CDPIK3CBPARP14
SCHEMBL14330572 0.81 CYP11B1 (0.37) CDK4CDK6DYRK1AGSK3BKCNH2
SCHEMBL14329628 0.80 TOP2A (0.34) CDK4CDK6
SCHEMBL14330589 0.78 DYRK1A (0.37) CDK4CDK6DYRK1AGSK3BKCNH2
SCHEMBL14330584 0.77 CDK4 (0.34) CDK4CDK6DYRK1AGSK3BKCNH2
SCHEMBL14330542 0.77 TNF (0.35) ALOX5
SCHEMBL14330600 0.77 DYRK1A (0.39) CDK4CDK6DYRK1AGSK3BKCNH2
SCHEMBL14330588 0.77 KDM4E (0.36) CDK4CDK6PIK3CDPIK3CBDYRK1A

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 CCNC 596/4885CDK8 274/4885PRKDC 3420/4885

“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