SCHEMBL6891945

SCHEMBL6891945

O=C1NCCC(=O)c2[nH]ccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.72
PRKD3 O94806 1/20 0.49
PRKCG P05129 1/20 0.49
PRKCB P05771 1/20 0.49
PRKCA P17252 1/20 0.49
PRKCH P24723 1/20 0.49
PRKCI P41743 1/20 0.49
PRKCE Q02156 1/20 0.49
PRKCQ Q04759 1/20 0.49
PRKCZ Q05513 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKD1 Q15139 1/20 0.49
USP7 Q93009 1/20 0.49
USP21 Q9UK80 1/20 0.49
PARP10 Q53GL7 11/20 0.46
PARP1 P09874 10/20 0.46
PARP11 Q9NR21 7/20 0.46
PDPK1 O15530 1/20 0.46
RAF1 P04049 2/20 0.44
MAPK1 P28482 2/20 0.44

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
Aldisin SCHEMBL7844916 0.84 MAP2K1 (1.00) MAP2K1PRKD3PRKCGPRKCBPRKCA
SCHEMBL980230 0.78 MAP2K1 (0.58) MAP2K1PRKD3PRKCGPRKCBPRKCA
SCHEMBL21305078 0.76 MAP2K1 (0.61) MAP2K1PRKD3PRKCGPRKCBPRKCA
SCHEMBL15468004 0.71 MAP2K1 (0.60) MAP2K1PRKD3PRKCGPRKCBPRKCA
SCHEMBL3296103 0.71 PARP11 (0.64) MAP2K1PARP10PARP1PARP11PDPK1
Formic Acid SCHEMBL25205058 0.71 MAP2K1 (0.50) MAP2K1PRKD3PRKCGPRKCBPRKCA
SCHEMBL22313400 0.69 PARP11 (0.62) MAP2K1PARP10PARP1PARP11PDPK1
SCHEMBL13222116 0.69 MAP2K1 (0.62) MAP2K1PRKD3PRKCGPRKCBPRKCA
SCHEMBL116223 0.67
SCHEMBL6773859 0.67 MAP2K1 (0.50) MAP2K1PARP10PARP1PARP11PDPK1

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-6713634-B2 SEROTONIN RECEPTOR ANTAGONIST DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-30 US disclosed
US-20030166926-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2003-09-04 US disclosed
EP-0915881-B1 PYRROLOAZEPINE COMPOUNDS SUNTORY LTD (JP) 2003-01-08 EP disclosed
US-6489473-B2 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, ARRHYTHMIA, MYOCARDIAL INFARCTION, CONGESTIVE HEART FAILURE, CEREBRAL INFARCTION AND CEREBRAL SEQUELAE AFTER SUBARACHNOID HEMORRHAGE, HYPERTENSION SUNTORY LIMITED (JP) 2002-12-03 US disclosed
US-20020072515-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2002-06-13 US disclosed
EP-0807632-B1 PYRROLOAZEPINE DERIVATIVES SUNTORY LTD (JP) 2002-04-17 EP disclosed
US-6258805-B1 TREATMENT OF BRAIN DISORDERS AND HYPERTENSION SUNTORY LIMITED (JP) 2001-07-10 US disclosed
US-6211362-B1 CHEMICAL INTERMEDIATE FOR DRUGS SUNTORY LIMITED (JP) 2001-04-03 US disclosed
US-6187772-B1 Pyrroloazepine compounds SUNTORY LIMITED (JP) 2001-02-13 US disclosed
US-5962448-A Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1999-10-05 US disclosed
EP-0915881-A1 PYRROLOAZEPINE COMPOUNDS SUNTORY LIMITED (JP) 1999-05-19 EP disclosed
WO-1998041527-A1 PYRROLOAZEPINE COMPOUNDS SUNTORY LIMITED (JP) 1998-09-24 WO disclosed
EP-0807632-A1 PYRROLOAZEPINE DERIVATIVES SUNTORY LIMITED (JP) 1997-11-19 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 (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-20020072515-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C MAP2K1 2540/4885PRKD3 1046/4885PRKCG 1541/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C MAP2K1 2371/4885PRKD3 1072/4885PRKCG 1561/4885

“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.