SCHEMBL14330569

SCHEMBL14330569

c1ccc(-n2c3ccncc3c3c4ccc5ccc(-c6ccc(-c7cn8cccnc8n7)cc6)c6ccc(cc32)c4c56)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 16/20 0.45
▸ KDM4E B2RXH2 15/20 0.45
▸ HPGD P15428 9/20 0.45
▸ GLA P06280 6/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ RAB9A P51151 13/20 0.41
▸ GAA P10253 9/20 0.41
▸ NPC1 O15118 9/20 0.41
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ MAPT P10636 7/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CDC7 O00311 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ PIM1 P11309 1/20 0.40

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
SCHEMBL12731474 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL14330521 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL12731473 0.79 RAB9A (0.43) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL14330557 0.79 TNF (0.33) CDC7CDK2DYRK1A
SCHEMBL14330548 0.79 TNF (0.36) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL14330560 0.78 TNF (0.30) —
SCHEMBL14330546 0.78 KDM4E (0.37) KDM4EGSK3BDYRK1ACYP1A2
SCHEMBL14330564 0.77 DYRK1A (0.34) ALDH1A1KDM4EHPGDMAPTGSK3B
SCHEMBL14330536 0.77 KDM4E (0.35) ALDH1A1KDM4EHPGDMAPTCDC7
SCHEMBL4469310 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDGLAHSD17B10

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 ALDH1A1 24/4885KDM4E 3157/4885HPGD 483/4885

“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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