SCHEMBL17970002

SCHEMBL17970002

c1ccc2cc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5c(-c6cc(-c7cccc8ccccc78)nc(-c7ccc8ccccc8c7)n6)cccc45)n3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.51
CYP1A2 P05177 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
GSTP1 P09211 1/20 0.43
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 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
SCHEMBL10051296 0.95 PIM1 (0.51) PIM1CYP1A2MEN1KMT2ACYP1A1
SCHEMBL17969978 0.94 PIM1 (0.50) PIM1CYP1A2MEN1KMT2ACYP1A1
SCHEMBL17970007 0.93 CYP1A2 (0.54) PIM1CYP1A2MEN1KMT2ACYP1A1
SCHEMBL10051200 0.92 PIM1 (0.54) PIM1CYP1A2MEN1KMT2ACYP1A1
SCHEMBL17969916 0.91 PIM1 (0.53) PIM1CYP1A2MEN1KMT2ACYP1A1
SCHEMBL17970028 0.90 PIM1 (0.56) PIM1CYP1A2MEN1KMT2ACYP1A1
SCHEMBL17412428 0.89 PIM1 (0.46) PIM1CYP1A2MEN1KMT2AGSTP1
SCHEMBL16805051 0.89 PIM1 (0.46) PIM1CYP1A2MEN1KMT2AENPP3
SCHEMBL20617022 0.89 PIM1 (0.49) PIM1CYP1A2MEN1KMT2ACYP1A1
SCHEMBL22308901 0.89 PIM1 (0.49) PIM1CYP1A2MEN1KMT2ACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9954181-B2 Hetero-cyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2018-04-24 US disclosed
US-9954181-B2 Hetero-cyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2018-04-24 US disclosed
US-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) LG CHEM, LTD. (KR) 2016-08-11 US disclosed
US-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) LG CHEM, LTD. (KR) 2016-08-11 US disclosed
EP-3050879-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMTTING ELEMENT INCLUDING SAME LG Chem, Ltd. (KR) 2016-08-03 EP 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-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) CRY1, CRY2, PER2 PIM1 4028/4885CYP1A2 183/4885MEN1 1048/4885

“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.