SCHEMBL110101

SCHEMBL110101

CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
HPGD P15428 4/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
KMT2A Q03164 4/20 0.62
POLB P06746 3/20 0.61
MEN1 O00255 3/20 0.61
PKM P14618 2/20 0.60
LMNA P02545 1/20 0.60
ALOX15 P16050 1/20 0.58
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57

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
SCHEMBL4039721 0.94 KMT2A (0.65) ALDH1A1HPGDL3MBTL1CA12CA1
SCHEMBL9152022 0.92 CA12 (0.77) ALDH1A1HPGDCA12CA1CA2
SCHEMBL4002999 0.87 ALDH1A1 (0.75) ALDH1A1HPGDCA12CA1CA2
SCHEMBL27971693 0.87 CA12 (0.70) ALDH1A1HPGDCA12CA1CA2
SCHEMBL12248114 0.85 POLB (0.63) ALDH1A1HPGDL3MBTL1KMT2APOLB
SCHEMBL142197 0.85 CA12 (0.68) ALDH1A1HPGDCA12CA1CA2
SCHEMBL4724436 0.85 KMT2A (0.75) ALDH1A1HPGDCA12CA1CA2
SCHEMBL1877246 0.85 KMT2A (0.80) ALDH1A1HPGDCA12CA1CA2
SCHEMBL15837506 0.84 ALDH1A1 (0.68) ALDH1A1HPGDL3MBTL1CA12CA1
SCHEMBL10724841 0.84 POLB (0.81) ALDH1A1HPGDL3MBTL1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026422-A2 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2009-02-26 WO claimed
EP-4711366-A1 PYRIMIDO MACROHETEROCYCLIC COMPOUND AS WEE1-YES DUAL-TARGET INHIBITOR AND USE THEREOF Mindrank AI Ltd. (CN) 2026-03-18 EP disclosed
WO-2024230807-A1 PYRIMIDO MACROHETEROCYCLIC COMPOUND AS WEE1-YES DUAL-TARGET INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-11-14 WO disclosed
CN-114605329-B Substituted indazole carboxamides or substituted azaindazole carboxamides FLT3 inhibitors and uses thereof 河南中医药大学 2024-01-26 CN disclosed
CN-111566100-B Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2023-10-27 CN disclosed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
WO-2021236650-A1 CYCLIN-DEPENDENT KINASE INHIBITING COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-11-25 WO disclosed
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2021-04-08 US disclosed
CN-111566100-A Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2020-08-21 CN disclosed
US-10619028-B2 Polyarylene fiber with improved hydrolytic stability TEIJIN ARAMID B.V. (NL) 2020-04-14 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 WO disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO disclosed
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 US disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO disclosed
EP-1052248-B1 Process for the preparation of aqueous solutions of diazonium salts CLARIANT GMBH (DE) 2003-03-19 EP disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 WO disclosed
US-6207809-B1 CATALYTIC HYDROGENATION USING THE CORRESPONDING NITRO COMPOUND CLARIANT GMBH (DE) 2001-03-27 US disclosed
EP-1052248-A1 Process for the preparation of aqueous solutions of diazonium salts Clariant GmbH (DE) 2000-11-15 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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 ALDH1A1 1526/4885HPGD 1513/4885L3MBTL1 4747/4885
US-10619028-B2 Polyarylene fiber with improved hydrolytic stability PAH, COMT, MAOB ALDH1A1 1215/4885HPGD 1087/4885L3MBTL1 3061/4885
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors CDK2, CCNI, CCNK ALDH1A1 1264/4885HPGD 693/4885L3MBTL1 4029/4885
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF CDK9, CDK19, CDK6 ALDH1A1 1509/4885HPGD 830/4885L3MBTL1 4644/4885

“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.