SCHEMBL2568334

SCHEMBL2568334

COc1ccc(C(C)N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.46
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CHRNA7 P36544 1/20 0.40
CYP2A6 P11509 2/20 0.40
ADRB2 P07550 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HRH1 P35367 1/20 0.39
OXTR P30559 1/20 0.38
OGA O60502 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL16510139 1.00 NNMT (0.46) NNMTMKNK1MKNK2KMT2AMEN1
SCHEMBL14480182 1.00 NNMT (0.46) NNMTMKNK1MKNK2KMT2AMEN1
SCHEMBL29514672 1.00 NNMT (0.46) NNMTMKNK1MKNK2KMT2AMEN1
SCHEMBL29977412 1.00 NNMT (0.46) NNMTMKNK1MKNK2KMT2AMEN1
SCHEMBL29483219 1.00 NNMT (0.46) NNMTMKNK1MKNK2KMT2AMEN1
Hydrochloric Acid SCHEMBL23112290 0.98 NNMT (0.44) NNMTMKNK1MKNK2KMT2AMEN1
Hydrochloric Acid SCHEMBL23112628 0.98 NNMT (0.44) NNMTMKNK1MKNK2KMT2AMEN1
Hydrochloric Acid SCHEMBL31502319 0.98 NNMT (0.44) NNMTMKNK1MKNK2KMT2AMEN1
Hydrochloric Acid SCHEMBL28560773 0.98 NNMT (0.44) NNMTMKNK1MKNK2KMT2AMEN1
Hydrochloric Acid SCHEMBL23112629 0.98 NNMT (0.44) NNMTMKNK1MKNK2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181205-B Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed
CN-117964547-A Urea compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor 瀚远医药有限公司 2024-05-03 CN disclosed
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
WO-2022053046-A1 PYRAZOLOPYRIDINE COMPOUND OR SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2022-03-17 WO disclosed
CN-114181205-A Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-03-15 CN disclosed
WO-2021094209-A1 SUBSTITUTED PYRROLO TRIAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 WO disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN disclosed
WO-2020239951-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-03 WO disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
EP-1732901-B1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND AICURIS GMBH & CO KG (DE) 2011-11-02 EP disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 US disclosed
EP-1732901-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND Bayer HealthCare AG (DE) 2006-12-20 EP disclosed
WO-2005092865-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND BAYER HEALTHCARE AG (DE) 2005-10-06 WO disclosed
EP-1572642-A1 3-PYRROLYL UREA DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2005028451-A1 TETRAHYDROQUINOXALINES AND THEIR USE AS M2 ACETYLCHOLINE RECEPTOR AGONISTS BAYER HEALTHCARE AG (DE) 2005-03-31 WO disclosed
WO-2004052852-A1 3-PYRROLYL UREA DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS BAYER HEALTHCARE AG (DE) 2004-06-24 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 (3 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK NNMT 1314/4885MKNK1 2715/4885MKNK2 2134/4885
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds IRF3, EIF2AK2, ZC3HAV1 NNMT 497/4885MKNK1 1998/4885MKNK2 2272/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 NNMT 18/4885MKNK1 559/4885MKNK2 599/4885

“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.