SCHEMBL3886913

SCHEMBL3886913

O=C(CCl)c1c[nH]c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.63
CCNE1 P24864 8/20 0.55
CDK2 P24941 8/20 0.55
MTNR1A P48039 1/20 0.52
ADORA2A P29274 1/20 0.52
GPR84 Q9NQS5 1/20 0.51
CNR2 P34972 1/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.49
AXL P30530 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48

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
SCHEMBL13306576 0.86 MAP2K1 (0.61) MAP2K1CCNE1CDK2MTNR1AADORA2A
SCHEMBL12729266 0.86 MAP2K1 (0.66) MAP2K1CCNE1CDK2MTNR1AADORA2A
SCHEMBL4466016 0.86 MAP2K1 (0.61) MAP2K1CCNE1CDK2MTNR1AADORA2A
SCHEMBL13333283 0.86 MAP2K1 (0.61) MAP2K1CCNE1CDK2MTNR1AADORA2A
SCHEMBL29443820 0.83 MAP2K1 (0.67) MAP2K1CCNE1CDK2MTNR1AADORA2A
SCHEMBL3608096 0.83 MAP2K1 (0.67) MAP2K1CCNE1CDK2MTNR1AADORA2A
SCHEMBL857071 0.83 MAP2K1 (0.58) MAP2K1CCNE1CDK2MTNR1AADORA2A
SCHEMBL29468201 0.83 MAP2K1 (0.71) MAP2K1CCNE1CDK2MTNR1AADORA2A
SCHEMBL27708260 0.83 MAP2K1 (0.71) MAP2K1CCNE1CDK2MTNR1AADORA2A
SCHEMBL985214 0.83 MAP2K1 (0.71) MAP2K1CCNE1CDK2MTNR1AADORA2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed
WO-2021064141-A1 INHIBITORS OF DUAL SPECIFICITY TYROSINE PHOSPHORYLATION REGULATED KINASE 1B TOLREMO THERAPEUTICS AG (CH) 2021-04-08 WO disclosed
WO-2021064141-A1 INHIBITORS OF DUAL SPECIFICITY TYROSINE PHOSPHORYLATION REGULATED KINASE 1B TOLREMO THERAPEUTICS AG (CH) 2021-04-08 WO disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US disclosed
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 US disclosed
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 US disclosed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 US disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 US disclosed
EP-1178045-B1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER (US) 2003-05-28 EP disclosed
EP-0870768-B1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER (US) 2002-05-15 EP disclosed
EP-1178045-A1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER INC. (US) 2002-02-06 EP disclosed
US-5977131-A Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1999-11-02 US disclosed
EP-0870768-A1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-10-14 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 (3 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-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A MAP2K1 2689/4885CCNE1 4124/4885CDK2 2765/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 MAP2K1 335/4885CCNE1 982/4885CDK2 44/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 MAP2K1 2720/4885CCNE1 4392/4885CDK2 2818/4885

“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.