SCHEMBL2416637

SCHEMBL2416637

COc1nc(N2CCOCC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.47
GAA P10253 3/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP2C19 P33261 2/20 0.44
CNR2 P34972 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
AOC3 Q16853 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
NPC1 O15118 1/20 0.43

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
Hydrochloric Acid SCHEMBL6336950 0.98 SMPD3 (0.46) SMPD3GAACRHBPCRHR2CYP2C19
SCHEMBL23375711 0.86 HRH3 (0.36) SMPD3GAACRHBPCRHR2CYP2C19
SCHEMBL2412222 0.85 CNR2 (0.43) SMPD3CRHBPCRHR2CNR2NPC1
Hydrochloric Acid SCHEMBL6346443 0.84 CNR2 (0.43) SMPD3CRHBPCRHR2CNR2NPC1
SCHEMBL2415579 0.84 CNR2 (0.46) SMPD3CRHBPCRHR2CNR2ALDH1A1
Hydrochloric Acid SCHEMBL2420468 0.83 CNR2 (0.45) SMPD3CRHBPCRHR2CNR2ALDH1A1
SCHEMBL16931347 0.83 HTR3A (0.57) ALDH1A1KMT2AKDM4ECYP1A2MEN1
SCHEMBL21500076 0.81 PDCD1LG2 (0.39) SMPD3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15300930 0.81 OGA (0.54) SMPD3GAACYP2C19CNR2PRKAB2
SCHEMBL21500090 0.81 LRRK2 (0.38) SMPD3PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP claimed
US-6837908-B2 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2005-01-04 US claimed
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2003-09-04 US claimed
EP-1312606-A1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres L'OREAL (FR) 2003-05-21 EP claimed
US-12466812-B2 Pyridinyltriazine derivative having protein kinase inhibitory activity, and pharmaceutical composition for preventing, ameliorating, or treating cancer comprising same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2025-11-11 US disclosed
WO-2024073745-A1 INHIBITORS OF EGFR OR HER2 AND METHODS OF USE ARBELLA THERAPEUTICS, LLC (US) 2024-04-04 WO disclosed
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 US disclosed
US-20230027716-A1 NOVEL PYRIDINYLTRIAZINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, AMELIORATING, OR TREATING CANCER COMPRISING SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-01-26 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 US disclosed
EP-2892889-A1 INHIBITOR COMPOUNDS Cancer Research Technology Ltd (GB) 2015-07-15 EP disclosed
WO-2014037750-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-03-13 WO disclosed
WO-2014037750-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-03-13 WO disclosed
EP-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP disclosed
EP-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP disclosed
US-6837908-B2 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2005-01-04 US disclosed
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2003-09-04 US disclosed
EP-1312606-A1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres L'OREAL (FR) 2003-05-21 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 (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-20220402912-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 SMPD3 2943/4885GAA 2223/4885CRHBP 3472/4885
US-11046688-B2 Inhibitor compounds BUB1B, BUB1, CDK1 SMPD3 2943/4885GAA 2223/4885CRHBP 3472/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 SMPD3 2943/4885GAA 2223/4885CRHBP 3472/4885
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres KRT18, DPYD, DSP SMPD3 3953/4885GAA 3941/4885CRHBP 4650/4885
US-12466812-B2 Pyridinyltriazine derivative having protein kinase inhibitory activity, and pharmaceutical composition for preventing, ameliorating, or treating cancer comprising same FGFR3, FGFR1, FGFR4 SMPD3 3513/4885GAA 4556/4885CRHBP 3604/4885
US-20230027716-A1 NOVEL PYRIDINYLTRIAZINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, AMELIORATING, OR TREATING CANCER COMPRISING SAME FGFR3, FGFR1, FGFR4 SMPD3 3772/4885GAA 4617/4885CRHBP 3602/4885

“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.