SCHEMBL566062

SCHEMBL566062

[NH]CCNc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.54
HRH3 Q9Y5N1 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CTSD P07339 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAPK1 P28482 1/20 0.39
PTGS2 P35354 1/20 0.39
HTR2B P41595 1/20 0.39
DRD4 P21917 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL2377559 0.85 ALDH1A1 (0.73) ALDH1A1MAPTL3MBTL1HRH3
SCHEMBL1493176 0.83 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1
SCHEMBL232188 0.83 MAPT (0.78) ALDH1A1MAPTL3MBTL1HRH3TDP1
SCHEMBL6416019 0.80 MAPT (0.74) ALDH1A1MAPTL3MBTL1HRH3TDP1
SCHEMBL1562142 0.80 MAPT (0.74) ALDH1A1MAPTL3MBTL1HRH3TDP1
SCHEMBL2065279 0.78 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1HRH3TDP1
SCHEMBL4970157 0.78 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1HRH3TDP1
SCHEMBL4770033 0.78
SCHEMBL5074435 0.77 MAPT (0.42) ALDH1A1MAPT
SCHEMBL415411 0.76 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1HRH3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US claimed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP claimed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP claimed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US claimed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 WO claimed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP disclosed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US disclosed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP disclosed
EP-2393777-B1 HYDRAZIDE COMPOUND AND USE OF THE SAME IN PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-12-25 EP disclosed
EP-2647285-A2 Pest control composition Sumitomo Chemical Company, Limited (JP) 2013-10-09 EP disclosed
US-8507514-B2 Hydrazide compound and use of the same in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 US disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 US disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 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 (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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 ALDH1A1 3711/4885MAPT 1332/4885L3MBTL1 1334/4885
US-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 ALDH1A1 223/4885MAPT 3003/4885L3MBTL1 4833/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS ALDH1A1 3560/4885MAPT 1188/4885L3MBTL1 668/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 ALDH1A1 3711/4885MAPT 1332/4885L3MBTL1 1334/4885

“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.