SCHEMBL10051746

SCHEMBL10051746

Nc1ncccc1Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
KDM4E B2RXH2 4/20 0.61
GAA P10253 4/20 0.61
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
LMNA P02545 1/20 0.61
CYP2D6 P10635 1/20 0.61
BACE1 P56817 1/20 0.56
PRKCI P41743 1/20 0.49
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
APP P05067 1/20 0.47
SNCA P37840 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL19851078 1.00 MAPT (0.61) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL23954460 0.89 MAPT (0.56) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL2602410 0.83 MAPT (0.62) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL2501726 0.78 KMT2A (0.70) KDM4EMEN1KMT2ALMNABACE1
SCHEMBL2511167 0.78 GRM4 (0.47) MAPTKDM4ELMNABACE1PRKCI
SCHEMBL6689566 0.78 DHODH (0.58) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL217480 0.76 MAPT (1.00) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL29388147 0.76 MAPT (1.00) MAPTKDM4EGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL14672810 0.76 DHODH (0.56) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL22975347 0.76 SMN1; SMN2 (0.49) MAPTKDM4EGAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065092-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-02-22 US disclosed
US-20230345812-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-26 US disclosed
US-20230345812-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-26 US disclosed
US-20230345812-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-26 US disclosed
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 US disclosed
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME WUHAN TIANMA MICROELECTRONICS CO., LTD.SHANGHAI BRANCH (CN) 2017-05-25 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2012-04-19 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 (5 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 MAPT 1752/4885KDM4E 4269/4885GAA 1526/4885
US-20230345812-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OPRD1, OCIAD2 MAPT 4205/4885KDM4E 3089/4885GAA 4068/4885
US-20120095009-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, CCNI, TYMP MAPT 4650/4885KDM4E 1457/4885GAA 1054/4885
US-20170148996-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC OPTOELECTRONIC DEVICES COMPRISING THE SAME OR10J3, PPOX, OR51E2 MAPT 923/4885KDM4E 2416/4885GAA 2354/4885
US-20240065092-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OPRD1 MAPT 4217/4885KDM4E 3132/4885GAA 4261/4885

“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.