SCHEMBL14329664

SCHEMBL14329664

c1cc2[nH]c3cc4ccc5c6c(cc7ccc(c3c2cn1)c4c75)[nH]c1ccncc16

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
MAPT P10636 12/20 0.46
KIF11 P52732 1/20 0.46
CHEK1 O14757 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41
CHUK O15111 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PIM1 P11309 1/20 0.41
TOP1 P11387 1/20 0.41
GABRA1 P14867 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL14330618 0.90 ADORA3 (0.41) ACHECDK4CCND1MAPTKIF11
SCHEMBL14330624 0.80 CDK4 (0.49) ACHECDK4CCND1KIF11KDM4E
SCHEMBL14330620 0.77 ADORA3 (0.53) CDK4CCND1MAPTKIF11KDM4E
SCHEMBL6026569 0.76 CDK4 (0.52) ACHECDK4CCND1MAPTKIF11
SCHEMBL635643 0.75 CDK4 (0.71) ACHECDK4CCND1MAPTCHEK1
SCHEMBL29642993 0.74 ACHE (0.78) ACHEMAPTKIF11KDM4EGABRP
SCHEMBL972999 0.74 ACHE (0.78) ACHEMAPTKIF11KDM4EGABRP
SCHEMBL12240739 0.74 CDK4 (0.54) ACHECDK4CCND1MAPTKIF11
SCHEMBL19988600 0.72 ACHE (0.57) ACHECDK4CCND1MAPTKIF11
SCHEMBL14329668 0.71 MAPT (0.45) CDK4CCND1MAPTCHEK1AURKA

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 ACHE 821/4885CDK4 17/4885CCND1 28/4885

“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.