SCHEMBL8931479

SCHEMBL8931479

CC(=O)Cc1cn(C(C)(C)C)nn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL25974297 0.83 MTNR1A (0.39) CYP4F2CYP4A11NPC1CYP1A2CYP2C9
SCHEMBL19413459 0.81 KDM4E (0.39) CYP4F2CYP4A11NPC1KMT2ASMN1; SMN2
SCHEMBL25446419 0.80 SMN1; SMN2 (0.39) NPC1KMT2APOLBSMN1; SMN2
SCHEMBL19413457 0.79 HSD17B10 (0.42) KMT2ASMN1; SMN2
SCHEMBL20844765 0.78 NOTUM (0.30)
SCHEMBL1412674 0.77 MAP3K8 (0.31)
SCHEMBL14212089 0.76 FFAR1 (0.39) CYP4F2CYP4A11NPC1NR1H4
SCHEMBL14900354 0.76 CYP4F2 (0.35) CYP4F2CYP4A11NPC1
SCHEMBL13233213 0.76 DDB1 (0.39)
SCHEMBL11955225 0.75 GABRA2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362178-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES KREOS CAPITAL VII (UK) LIMITED (GB) 2017-12-21 US disclosed
US-9776969-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino]alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2017-10-03 US disclosed
US-20150361043-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES KREOS CAPITAL VII (UK) LIMITED (GB) 2015-12-17 US disclosed
US-9145366-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino]alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2015-09-29 US disclosed
US-20130023542-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-01-24 US disclosed
US-8329916-B2 Human protein tyrosine phosphatase inhibitors and method of use AERPIO THERAPEUTICS INC. (US) 2012-12-11 US disclosed
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-06 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 US disclosed
US-8106078-B2 Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT COMPANY, LLC (US) 2012-01-31 US disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US 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 (9 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-20170362178-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, P4HA1 CYP4F2 447/4885CYP4A11 359/4885NPC1 2592/4885
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP CYP4F2 4154/4885CYP4A11 4540/4885NPC1 4731/4885
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE PTPRCAP, PPP5C, PTPRO CYP4F2 3119/4885CYP4A11 3823/4885NPC1 3482/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CYP4F2 3379/4885CYP4A11 4087/4885NPC1 3480/4885
US-20150361043-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, P4HA1 CYP4F2 445/4885CYP4A11 363/4885NPC1 2586/4885
US-20130023542-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C CYP4F2 3379/4885CYP4A11 4087/4885NPC1 3480/4885
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB CYP4F2 4836/4885CYP4A11 4687/4885NPC1 1166/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C CYP4F2 3379/4885CYP4A11 4087/4885NPC1 3480/4885
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, ALDH7A1 CYP4F2 433/4885CYP4A11 283/4885NPC1 2528/4885

“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.