SCHEMBL2111785

SCHEMBL2111785

CN1CCN(O[C]=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL59550 0.72
SCHEMBL7978185 0.67 CYP1A2 (0.35) CYP1A2TDP1
SCHEMBL6989078 0.66 L3MBTL3 (0.38)
SCHEMBL8073273 0.65
SCHEMBL1609310 0.65 TDP1 (0.35) CYP1A2TDP1
SCHEMBL1069 0.65
SCHEMBL8629808 0.65
SCHEMBL577198 0.65 CYP1A2 (0.47) CYP1A2TDP1
SCHEMBL7571225 0.65 CYP1A2 (0.47) CYP1A2TDP1
SCHEMBL151183 0.65 CYP1A2 (0.47) CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009849-A1 Pyridopyrimidine kinase inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2005-01-13 US claimed
WO-2004063195-A1 PYRIDOPYRIMIDINE KINASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2004-07-29 WO claimed
EP-2719688-B1 Process for producing tetrazolyloxime derivatives NIPPON SODA CO (JP) 2016-07-20 EP disclosed
EP-2719686-B1 Process to halogenate a picoline derivative NIPPON SODA CO (JP) 2015-12-02 EP disclosed
EP-2719687-B1 Process to make a bromopicoline derivative NIPPON SODA CO (JP) 2015-09-16 EP disclosed
US-9018385-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-28 US disclosed
US-9012653-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-21 US disclosed
US-9000178-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-07 US disclosed
US-8962848-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
US-8841458-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2014-09-23 US disclosed
US-20140155611-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE NIPPON SODA CO., LTD. (JP) 2014-06-05 US disclosed
EP-2719688-A1 Process for producing tetrazolyloxime derivatives NIPPON SODA CO., LTD. (JP) 2014-04-16 EP disclosed
EP-2546236-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE Nippon Soda Co., Ltd. (JP) 2013-01-16 EP disclosed
US-20130012713-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE NIPPON SODA CO., LTD 2013-01-10 US disclosed
US-8158638-B2 Pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2065388-B1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2011-09-07 EP disclosed
US-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-06 US disclosed
EP-2065388-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-06-03 EP disclosed
US-20050009849-A1 Pyridopyrimidine kinase inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2005-01-13 US disclosed
WO-2004063195-A1 PYRIDOPYRIMIDINE KINASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2004-07-29 WO 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 (4 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-20050009849-A1 Pyridopyrimidine kinase inhibitors MAP3K1, MAP3K19, MAP3K20 CYP1A2 467/4885TDP1 1187/4885
US-20140155611-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE CBR3, PNPO, AADAC CYP1A2 50/4885TDP1 3427/4885
US-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB1, HSP90B1, HSP90AA1 CYP1A2 2369/4885TDP1 992/4885
US-20130012713-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE CBR3, PNPO, AADAC CYP1A2 50/4885TDP1 3427/4885

“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.