SCHEMBL13965879

SCHEMBL13965879

CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1ncccc1n3-c1ccc(-c2cccnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.41
▸ TNKS O95271 2/20 0.37
▸ TDP2 O95551 2/20 0.35
▸ KDR P35968 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ CYP19A1 P11511 3/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ CYP17A1 P05093 1/20 0.33

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
SCHEMBL13965893 0.89 PDK2 (0.35) PDK2
SCHEMBL13965873 0.88 PDK2 (0.36) PDK2
SCHEMBL13965872 0.88 TOP1 (0.33) PDK2
SCHEMBL13965884 0.87 KDM4E (0.33) —
SCHEMBL13965929 0.85 PDK2 (0.31) PDK2
SCHEMBL13965918 0.85 PDK2 (0.39) PDK2TNKSTDP2KDRCYP1A2
SCHEMBL13965959 0.84 TOP1 (0.32) PDK2
SCHEMBL13965874 0.82 PGR (0.31) PDK2GRM5
SCHEMBL13974892 0.82 CYP11B2 (0.39) MAPK1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL13965890 0.82 KDM4E (0.34) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-22 — — US disclosed
US-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-22 — — 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-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device DDT, SUN2, CYP1B1 PDK2 337/4885TNKS 1893/4885TDP2 2275/4885

“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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