SCHEMBL3720508

SCHEMBL3720508

NCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 7/20 0.52
PIN1 Q13526 8/20 0.49
CYP3A4 P08684 2/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNA2 P20248 2/20 0.48
CDK2 P24941 2/20 0.48
CCNA1 P78396 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
MPO P05164 7/20 0.46
TPO P07202 1/20 0.45
EPX P11678 1/20 0.45

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
SCHEMBL13064122 0.90 MGMT (0.67) MGMTPIN1CYP3A4CDK1CCNB1
SCHEMBL27090535 0.89 PIN1 (0.47) MGMTPIN1CYP3A4CDK1CCNB1
SCHEMBL21036999 0.88 PIN1 (0.51) MGMTPIN1CYP3A4CDK1CCNB1
SCHEMBL15372394 0.88 PIN1 (0.64) MGMTPIN1CYP3A4CDK1CCNB1
SCHEMBL1533391 0.88 MPO (0.61) MGMTPIN1CYP3A4CDK1CCNB1
6-O-Benzylguanine SCHEMBL29405347 0.87 MGMT (0.63) MGMTPIN1CYP3A4CDK1CCNB1
6-O-Benzylguanine SCHEMBL600698 0.87 MGMT (0.63) MGMTPIN1CYP3A4CDK1CCNB1
6-O-Benzylguanine SCHEMBL4631743 0.86 MGMT (0.61) MGMTPIN1CYP3A4CDK1CCNB1
SCHEMBL12252582 0.86 PIN1 (0.49) MGMTPIN1LMNAMPO
SCHEMBL23764883 0.85 PIN1 (0.49) MGMTPIN1CYP3A4CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164986-A SNAP-tag-based cell membrane fluorescent dye and synthesis and application thereof 中国科学院大连化学物理研究所 2024-06-11 CN claimed
CN-110272437-B Visible light-operated SNAP protein tag acid-resistant fluorescent molecular switch and synthesis thereof 中国科学院大连化学物理研究所 2021-06-11 CN claimed
CN-110272432-A A kind of light-operated role in fluorescent molecule switch of acid resistance and its synthetic method and application 中国科学院大连化学物理研究所 2019-09-24 CN claimed
US-12552938-B2 Deuterated fluorophores HOWARD HUGHES MEDICAL INSTITUTE (US) 2026-02-17 US disclosed
US-20260015335-A1 AMINE-SUBSTITUTED FLUORESCENT COMPOUNDS HUGHES HOWARD MED INST (US) 2026-01-15 US disclosed
US-20260001857-A1 FLUORINATED FLUORESCENT COMPOUNDS HUGHES HOWARD MED INST (US) 2026-01-01 US disclosed
US-20250282744-A1 RED-SHIFTED FLUOROPHORES HOWARD HUGHES MEDICAL INSTITUTE 2025-09-11 US disclosed
US-12344594-B2 Red-shifted fluorophores HOWARD HUGHES MEDICAL INSTITUTE (US) 2025-07-01 US disclosed
US-20250115628-A1 FLUORINATED FLUOROPHORES HOWARD HUGHES MEDICAL INSTITUTE 2025-04-10 US disclosed
WO-2024156920-A1 FLUOROGENIC POLYMETHINE DYES Universität Zürich (CH) 2024-08-02 WO disclosed
US-12018157-B2 Tunable photoactivatable silicon rhodamine fluorophores SPIROCHROME AG (CH) 2024-06-25 US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 US disclosed
US-7825096-B2 O6-alkylguanine-DNA alkyltransferase inactivators and beta-glucuronidase cleavable prodrugs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 US disclosed
US-7799524-B2 Substrates for O6-alkylguanina-DNA alkyltransferase Ecole Polytechnique Ferdeale de Lausanne (CH) 2010-09-21 US disclosed
US-7799524-B2 Substrates for O6-alkylguanina-DNA alkyltransferase Ecole Polytechnique Ferdeale de Lausanne (CH) 2010-09-21 US disclosed
WO-2010070232-A1 NOVEL RARE EARTH ELEMENT CRYPTATES INCLUDING A TETRAAZATRIPHENYLENE UNIT CIS BIO INTERNATIONAL (FR) 2010-06-24 WO disclosed
WO-2010070232-A1 NOVEL RARE EARTH ELEMENT CRYPTATES INCLUDING A TETRAAZATRIPHENYLENE UNIT CIS BIO INTERNATIONAL (FR) 2010-06-24 WO disclosed
WO-2010034931-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS-BIO INTERNATIONAL (FR) 2010-04-01 WO disclosed
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE 2007-09-13 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 (8 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-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF OGG1, UNG, MPG MGMT 11/4885PIN1 1777/4885CYP3A4 2104/4885
US-12344594-B2 Red-shifted fluorophores TFEB, DDX21, CDC73 MGMT 2937/4885PIN1 1521/4885CYP3A4 1715/4885
US-20250282744-A1 RED-SHIFTED FLUOROPHORES TFEB, DDX21, CDC73 MGMT 2936/4885PIN1 1522/4885CYP3A4 1715/4885
US-20260001857-A1 FLUORINATED FLUORESCENT COMPOUNDS MSN, CHN2, EFHD2 MGMT 1079/4885PIN1 4683/4885CYP3A4 1798/4885
US-20260015335-A1 AMINE-SUBSTITUTED FLUORESCENT COMPOUNDS AOC2, H1-2, CHAT MGMT 1589/4885PIN1 4752/4885CYP3A4 1606/4885
US-20250115628-A1 FLUORINATED FLUOROPHORES PFAS, FLI1, ARFGEF1 MGMT 1486/4885PIN1 1425/4885CYP3A4 301/4885
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS UNG, OGG1, MPG MGMT 23/4885PIN1 3749/4885CYP3A4 734/4885
US-12552938-B2 Deuterated fluorophores CTNND1, DRD1, DRD2 MGMT 508/4885PIN1 391/4885CYP3A4 69/4885

“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.