SCHEMBL6100249

SCHEMBL6100249

C(=Nc1ncc[nH]1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TAAR1 Q96RJ0 2/20 0.38
RAB9A P51151 7/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
NPC1 O15118 6/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 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
SCHEMBL1845553 1.00 KDM4E (0.43) KDM4EGAAGLAMTORADK
Benzene SCHEMBL28173940 0.73 MEN1 (0.48) MTORADKNISCHTAAR1RAB9A
SCHEMBL3069084 0.71 KMT2A (0.57) KDM4EGAAMTORADKNISCH
SCHEMBL1922167 0.71 MTOR (0.45) KDM4EGAAGLAMTORADK
SCHEMBL3069082 0.71 KMT2A (0.57) KDM4EGAAMTORADKNISCH
SCHEMBL27821030 0.70 LMNA (0.48) KDM4EGAAGLALMNAL3MBTL1
SCHEMBL14062519 0.70
SCHEMBL5500536 0.70
SCHEMBL11107953 0.67 MEN1 (0.52) KDM4EMTORADKNISCHTAAR1
SCHEMBL11103862 0.67 MEN1 (0.52) KDM4EMTORADKNISCHTAAR1

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
WO-2023096850-A1 PHOSPHOINOSITIDE 3 KINASE GAMMA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2023-06-01 WO disclosed
EP-3044221-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE Institute of Cancer Research: Royal Cancer Hospital (The) (GB) 2016-07-20 EP disclosed
WO-2015036759-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-03-19 WO disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 WO disclosed
US-5552427-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-03 US disclosed
EP-0656210-A1 Imidazole derivatives as glutaminose inhibitors Takeda Chemical Industries, Ltd. (JP) 1995-06-07 EP disclosed
CN-1016169-B PROCESS FOR PREPARING IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 1992-04-08 CN disclosed
CN-88101452-A Imdazole derivatives 1988-10-05 CN 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 (2 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A KDM4E 1364/4885GAA 3613/4885GLA 3248/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A KDM4E 1364/4885GAA 3613/4885GLA 3248/4885

“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.