SCHEMBL631091

SCHEMBL631091

CCC(=O)Nc1ccnc(NC(=O)CC)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.68
TYK2 P29597 5/20 0.68
JAK1 P23458 3/20 0.68
BRAF P15056 1/20 0.55
ACVRL1 P37023 2/20 0.54
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
NR4A1 P22736 1/20 0.51
CYP3A4 P08684 1/20 0.51
EGFR P00533 2/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL31420511 0.85 JAK2 (0.56) JAK2TYK2JAK1BRAFACVRL1
SCHEMBL24348414 0.85 JAK2 (0.56) JAK2TYK2JAK1BRAFACVRL1
SCHEMBL1977818 0.84 TYK2 (0.68) JAK2TYK2JAK1BRAFACVRL1
SCHEMBL18899922 0.83 SMARCA2 (0.58) JAK2TYK2JAK1RAB9APOLB
SCHEMBL16311114 0.83 JAK2 (0.53) JAK2TYK2JAK1BRAFACVRL1
SCHEMBL13922914 0.83 RAB9A (0.59) RAB9APOLBMEN1KMT2ATSHR
SCHEMBL8240613 0.83 RAB9A (0.59) RAB9APOLBMEN1KMT2ATSHR
SCHEMBL3514246 0.82 TYK2 (1.00) JAK2TYK2JAK1
SCHEMBL18626344 0.81 TSHR (0.54) JAK2TYK2JAK1RAB9APOLB
SCHEMBL16013758 0.81 AR (0.59) JAK2TYK2JAK1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3654929-A1 AQUEOUS COSMETIC COMPOSITION COMPRISING A PYRIDINEDICARBOXYLIC ACID DERIVATIVE AND A HYDROXYSTILBENE L'OREAL (FR) 2020-05-27 EP claimed
EP-3236919-B1 PARTICULAR PYRIDINEDICARBOXYLIC ACID DERIVATIVE/ANTIOXIDANT COMBINATION OREAL (FR) 2019-10-16 EP claimed
US-10400186-B2 Associative polymers for mist-control CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-09-03 US claimed
WO-2019016153-A1 AQUEOUS COSMETIC COMPOSITION COMPRISING A PYRIDINEDICARBOXYLIC ACID DERIVATIVE AND A HYDROXYSTILBENE L'OREAL (FR) 2019-01-24 WO claimed
US-20180000712-A1 PARTICULAR PYRIDINEDICARBOXYLIC ACID DERIVATIVE/ANTIOXIDANT COMBINATION L'OREAL (FR) 2018-01-04 US claimed
EP-3236919-A1 PARTICULAR PYRIDINEDICARBOXYLIC ACID DERIVATIVE/ANTIOXIDANT COMBINATION L'Oréal (FR) 2017-11-01 EP claimed
WO-2016102489-A1 PARTICULAR PYRIDINEDICARBOXYLIC ACID DERIVATIVE/ANTIOXIDANT COMBINATION L'OREAL (FR) 2016-06-30 WO claimed
US-20130131095-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS SOCIETE L'OREAL S.A. (FR) 2013-05-23 US claimed
EP-2419496-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL California Institute of Technology (US) 2012-02-22 EP claimed
EP-1352629-B1 Use of a pyridine-dicarboxylic acid derivative or a salt thereof to stimulate or induce keratinic fiber growth and/or to prevent its loss OREAL (FR) 2011-06-22 EP claimed
WO-2010121270-A1 ASSOCIATIVE POLYMERS FOR MIST-CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-10-21 WO claimed
US-20100105741-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS L'OREAL (FR) 2010-04-29 US claimed
US-20090215837-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS L'OREAL 2009-08-27 US claimed
US-20030223945-A1 Administration of pyridinedicarboxylic acid compounds for stimulating or inducing the growth of human keratinous fibers and/or arresting their loss SOCIETE L'OREAL S.A. (FR) 2003-12-04 US claimed
US-10835468-B2 Particular pyridinedicarboxylic acid derivative/antioxidant combination L'OREAL (FR) 2020-11-17 US disclosed
EP-3654929-A1 AQUEOUS COSMETIC COMPOSITION COMPRISING A PYRIDINEDICARBOXYLIC ACID DERIVATIVE AND A HYDROXYSTILBENE L'OREAL (FR) 2020-05-27 EP disclosed
EP-3236919-B1 PARTICULAR PYRIDINEDICARBOXYLIC ACID DERIVATIVE/ANTIOXIDANT COMBINATION OREAL (FR) 2019-10-16 EP disclosed
US-7598278-B2 Administration of pyridinedicarboxylic acid compounds for stimulating or inducing the growth of human keratinous fibers and/or arresting their loss L'OREAL (FR) 2009-10-06 US disclosed
US-20090215837-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS L'OREAL 2009-08-27 US disclosed
US-20030223945-A1 Administration of pyridinedicarboxylic acid compounds for stimulating or inducing the growth of human keratinous fibers and/or arresting their loss SOCIETE L'OREAL S.A. (FR) 2003-12-04 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 (6 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-20180000712-A1 PARTICULAR PYRIDINEDICARBOXYLIC ACID DERIVATIVE/ANTIOXIDANT COMBINATION GPX4, PRDX3, DPYD JAK2 1218/4885TYK2 2167/4885JAK1 681/4885
US-10835468-B2 Particular pyridinedicarboxylic acid derivative/antioxidant combination GPX4, PRDX3, DPYD JAK2 1218/4885TYK2 2167/4885JAK1 681/4885
US-20030223945-A1 Administration of pyridinedicarboxylic acid compounds for stimulating or inducing the growth of human keratinous fibers and/or arresting their loss KRT18, AKR1C3, MC1R JAK2 4556/4885TYK2 1813/4885JAK1 2341/4885
US-20100105741-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS AKR1C3, MC1R, KRT18 JAK2 4341/4885TYK2 1793/4885JAK1 2698/4885
US-20130131095-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS AKR1C3, MC1R, KRT18 JAK2 4341/4885TYK2 1793/4885JAK1 2698/4885
US-20090215837-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS AKR1C3, MC1R, KRT18 JAK2 4341/4885TYK2 1793/4885JAK1 2698/4885

“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.