SCHEMBL17197332

SCHEMBL17197332

COc1cc2c(cc1[N+](=O)[O-])CCNC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 3/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PRKDC P78527 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
SCHEMBL2205761 1.00 PNMT (0.50) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL2062089 0.92 HTR2A (0.54) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL6121898 0.89 SIRT6 (0.46) PNMTADRA2ASIRT6ALDH1A1RAB9A
SCHEMBL30875699 0.83 PNMT (0.48) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL24869968 0.83 PNMT (0.48) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL329913 0.81 HTR2A (0.61) PNMTHTR2AHTR2CHTR2BCD274
SCHEMBL29788066 0.81 HTR2A (0.61) PNMTHTR2AHTR2CHTR2BCD274
SCHEMBL18875031 0.80 PNMT (0.54) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL18875034 0.80 PNMT (0.54) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL2942106 0.80 ALDH1A1 (0.43) PNMTADRA2ASIRT6ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4678644-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Yidi Biotechnology Co., Ltd. (CN) 2026-01-14 — — EP disclosed
CN-119241548-A Dihydropteridinone derivatives containing fused benzene rings and use thereof 沈阳药科大学 2025-01-03 — — CN disclosed
WO-2024213089-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海壹迪生物技术有限公司 2024-10-17 — — WO disclosed
CN-115772156-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-08-06 — — CN disclosed
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 — — CN disclosed
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-03-21 — — US disclosed
CN-116940565-A Isoindolinone aminopyrimidine compounds as inhibitors of NUAK kinase, compositions and uses thereof 安大略省癌症研究所(OICR) 2023-10-24 — — CN disclosed
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 — — CN disclosed
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 — — CN disclosed
CN-115772156-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2023-03-10 — — CN disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 — — US disclosed
US-10053458-B2 Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-08-21 — — US disclosed
US-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-25 — — US disclosed
US-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-25 — — US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 — — US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 — — US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 — — US disclosed
EP-3159338-A2 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2017-04-26 — — EP disclosed
EP-3159338-A2 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2017-04-26 — — EP disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 — — 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 (5 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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 PNMT 2622/4885ADRA2A 4538/4885HTR2A 4235/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 PNMT 2622/4885ADRA2A 4538/4885HTR2A 4235/4885
US-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT ALK, NPM1, ETV6 PNMT 1417/4885ADRA2A 4724/4885HTR2A 4720/4885
US-10053458-B2 Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient ALK, NPM1, ETV6 PNMT 1417/4885ADRA2A 4724/4885HTR2A 4720/4885
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF NUAK1, NUAK2, NEK1 PNMT 2303/4885ADRA2A 3278/4885HTR2A 4467/4885

“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.

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