SCHEMBL14329628

SCHEMBL14329628

c1ccc2c(c1)sc1cc(-n3c4cnccc4c4c5ccc6cc7c(c8ccc(cc43)c5c68)c3ccncc3n7-c3ccc4c(c3)sc3ccccc34)ccc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CDK4 P11802 3/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CDK6 Q00534 2/20 0.32
▸ GPR3 P46089 1/20 0.32

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
SCHEMBL14330581 0.80 CCNC (0.33) CDK4CDK6
SCHEMBL14329625 0.80 CDK4 (0.39) TOP2AMAPTCDK4CDK6
SCHEMBL14330576 0.79 MAOA (0.39) TOP2AALDH1A1HPGDCDK4CCND1
SCHEMBL14329640 0.76 TOP2A (0.37) TOP2ACDK4CCND1CDK6
SCHEMBL14330579 0.75 TNF (0.33) —
SCHEMBL14330623 0.74 CDK4 (0.37) TOP2ACDK4CCND1CDK6
SCHEMBL14329624 0.74 TOP2A (0.42) TOP2ACDK4CCND1CDK6
SCHEMBL14331114 0.74 CDK4 (0.42) MAPTRAB9ACDK4CDK6
SCHEMBL14329639 0.74 TOP2A (0.40) TOP2AALDH1A1
SCHEMBL14329649 0.73 MAPK10 (0.42) TOP2AALDH1A1RAB9ASMN1; SMN2

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-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-20120326135-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-20120326135-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-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D TOP2A 4020/4885ALDH1A1 24/4885MAPT 1026/4885

“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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