SCHEMBL13534589

SCHEMBL13534589

CCC1(CC)c2cc(-c3ccccn3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.43
▸ TGFBR1 P36897 2/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ WNT3A P56704 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ SYK P43405 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GFER P55789 1/20 0.33
▸ DCTPP1 Q9H773 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
SCHEMBL13534619 0.93 PDK2 (0.44) PDK2TGFBR1MEN1KMT2ACYP1A2
SCHEMBL12325191 0.89 PDK2 (0.45) PDK2TGFBR1MEN1TP53PKM
SCHEMBL17149214 0.85 PDK2 (0.38) PDK2
SCHEMBL6241818 0.82 PDK2 (0.57) PDK2KMT2ACYP1A2CYP2D6CYP19A1
SCHEMBL13658652 0.82 ELANE (0.36) PDK2MEN1KMT2ACYP2C19
SCHEMBL20023693 0.81 PDK2 (0.44) PDK2TGFBR1MEN1TP53PKM
SCHEMBL18052350 0.81 PDK2 (0.38) PDK2CYP2C19
SCHEMBL13622053 0.81 PDK2 (0.38) PDK2CYP2C19
SCHEMBL14224561 0.80 NPC1 (0.40) PDK2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL14207075 0.80 PDK2 (0.35) PDK2

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-7652136-B2 Diarylaminofluorene-based organometallic phosphors and organic light-emitting devices made with such compounds THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-01-26 — — US disclosed
US-20080091021-A1 Diarylaminofluorene-based organometallic phosphors and organic light-emitting devices made with such compounds HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY, THE (CN) 2008-04-17 — — 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-20080091021-A1 Diarylaminofluorene-based organometallic phosphors and organic light-emitting devices made with such compounds ORC3, MCM3, TEC PDK2 2704/4885TGFBR1 2040/4885MEN1 580/4885

“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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