SCHEMBL4144929

SCHEMBL4144929

c1ccc2cc(-c3cnccn3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.58
CYP11B2 P19099 4/20 0.58
CYP19A1 P11511 2/20 0.58
CYP17A1 P05093 1/20 0.58
SIRT2 Q8IXJ6 2/20 0.55
ABL1 P00519 1/20 0.50
PIM1 P11309 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PI4KA P42356 1/20 0.49
PIK3CG P48736 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
CYP1A2 P05177 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL19768142 0.87 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1CYP17A1SIRT2
SCHEMBL24412122 0.85 ABL1 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1SIRT2
SCHEMBL15522518 0.82 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1CYP17A1SIRT2
SCHEMBL15603693 0.80 SIRT2 (0.43) CYP11B1CYP11B2CYP19A1CYP17A1SIRT2
SCHEMBL18993607 0.79 CYP19A1 (0.48) CYP11B1CYP11B2CYP19A1CYP17A1SIRT2
SCHEMBL29445842 0.79 KDM4E (0.63) CYP11B1CYP11B2CYP19A1CYP17A1SIRT2
SCHEMBL730330 0.79 KDM4E (0.63) CYP11B1CYP11B2CYP19A1CYP17A1SIRT2
SCHEMBL17426587 0.78 PIK3CD (0.45) CYP11B1CYP19A1ABL1PIM1PIM2
SCHEMBL11541937 0.77 CYP2D6 (0.60) CYP19A1ABL1PIM1PIM2PIK3CD
Hydrochloric Acid SCHEMBL29062272 0.77 KDM4E (0.61) CYP11B1CYP11B2CYP19A1CYP17A1SIRT2

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-11133476-B2 Electron transport material, an OLED display panel and an electronic device compromising the same Shanghai Tianma AM-OLED Co., Ltd. (CN) 2021-09-28 US disclosed
US-20190123288-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-04-25 US disclosed
US-20170338422-A1 Electron Transport Material, An OLED Display Panel And An Electronic Device Compromising The Same WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-11-23 US disclosed
US-20170338422-A1 Electron Transport Material, An OLED Display Panel And An Electronic Device Compromising The Same WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-11-23 US disclosed
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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 (4 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT CYP11B1 144/4885CYP11B2 142/4885CYP19A1 376/4885
US-11133476-B2 Electron transport material, an OLED display panel and an electronic device compromising the same OCIAD1, OCIAD2, SLCO4C1 CYP11B1 2123/4885CYP11B2 1815/4885CYP19A1 1093/4885
US-20190123288-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ZC3HAV1L, ZC3H11A, ZYX CYP11B1 1523/4885CYP11B2 1398/4885CYP19A1 2276/4885
US-20170338422-A1 Electron Transport Material, An OLED Display Panel And An Electronic Device Compromising The Same OCIAD1, OCIAD2, SLCO4C1 CYP11B1 2123/4885CYP11B2 1815/4885CYP19A1 1093/4885

“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.