SCHEMBL1967417

SCHEMBL1967417

Cc1ccc2n[c][nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 2/20 0.40
PIN1 Q13526 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NQO2 P16083 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ADORA2A P29274 1/20 0.37
MAPT P10636 2/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CBFB Q13951 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL211832 0.83 KMT2A (0.38) KMT2APOLBALDH1A1USP2HPGD
SCHEMBL207131 0.75 ALPL (0.41) KMT2AKDM4EMETAP2METAP1CBFB
SCHEMBL10973210 0.75 PRKCI (0.47) KMT2APOLBALDH1A1USP2HPGD
SCHEMBL416318 0.74 FABP6 (0.41) KMT2APOLBALDH1A1HPGDCYP1A2
SCHEMBL11227448 0.72 NPBWR1 (0.47) CBFB
SCHEMBL9162899 0.71 NPC1 (0.48) KMT2APOLBALDH1A1USP2HPGD
SCHEMBL15540652 0.70 QPCT (0.31)
SCHEMBL2862 0.69
SCHEMBL7266407 0.68 XDH (0.42) KMT2APOLBALDH1A1HPGDHTT
SCHEMBL16293605 0.68 GRIN2D (0.41) KMT2AHTTGAAPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536646-A Nematicidal active compound and preparation method and application thereof 华东理工大学 2022-12-30 CN disclosed
CN-103342705-A Method for synthesizing pyrrole [1,2-a ] quinoxaline derivative NANJING UNIVERSITY OF TECHNOLOGY 2013-10-09 CN disclosed
CN-103333171-A Synthetic method of pyrrole [1,2-a ] quinoxaline derivative NANJING UNIVERSITY OF TECHNOLOGY 2013-10-02 CN disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
EP-1660080-A1 FURANONE DERIVATIVES Galileo Pharmaceuticals, Inc. (US) 2006-05-31 EP disclosed
WO-2005016340-A1 FURANONE DERIVATIVES GALILEO PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
EP-0744948-A4 PROTEASE INHIBITORS LILLY CO ELI (US) 1997-06-11 EP disclosed
US-5624934-A PREVENTING HIV INFECTION ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed
EP-0744948-A1 PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-12-04 EP disclosed
US-5480887-A FOR HIV, THIENO(3,2-C)PYRIDINE-(6S)-CARBOXAMIDES ELI LILLY AND COMPANY (US) 1996-01-02 US disclosed
WO-1995020962-A1 PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KMT2A 253/4885POLB 4374/4885ALDH1A1 2292/4885

“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.