SCHEMBL14955967

SCHEMBL14955967

O=C(O)c1nc(C(F)(F)F)n2c1CNCC2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL2858951 0.87 HTR2A (0.32) HTR2AHTR2C
SCHEMBL10025712 0.87 SCN9A (0.33) HTR2AHTR2C
SCHEMBL10025558 0.83 DPP4 (0.43) HTR2AHTR2C
SCHEMBL10025682 0.83 CFTR (0.33) HTR2AHTR2C
SCHEMBL10025740 0.83 MGLL (0.31) HTR2AHTR2C
SCHEMBL14956096 0.83 MLYCD (0.35) —
Hydrochloric Acid SCHEMBL14955894 0.82 MGLL (0.31) HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL27779225 0.82 PKM (0.33) HTR2AHTR2C
SCHEMBL31699802 0.80 ALDH1A1 (0.43) —
SCHEMBL10025673 0.80 OPRD1 (0.33) —

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177958-A Small molecule modulators of alveolar type 2cell proliferation for the treatment of pulmonary diseases 斯克里普斯研究学院 2023-12-05 — — CN disclosed
EP-4281439-A1 SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES The Scripps Research Institute (US) 2023-11-29 — — EP disclosed
CN-113773323-B Preparation method of 3R-amino substituted butyramide derivative 江苏恒瑞医药股份有限公司 2023-05-12 — — CN disclosed
WO-2022159955-A1 SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2022-07-28 — — WO disclosed
US-20160151367-A1 METHODS OF USING PHTHALAZINONE KETONE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-02 — — US disclosed
US-9273052-B2 Phthalazinone ketone derivative, preparation method thereof, and pharmaceutical use thereof JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2016-03-01 — — US disclosed
EP-2604610-A1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF Jiangsu Hansoh Pharmaceutical Co., Ltd. (CN) 2013-06-19 — — EP disclosed
US-20130131068-A1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2013-05-23 — — 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 (2 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-20160151367-A1 METHODS OF USING PHTHALAZINONE KETONE DERIVATIVES PARP1, PARP2, PARP3 HTR2A 3811/4885HTR2C 3844/4885LIPG 2321/4885
US-20130131068-A1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF PARP1, PARP2, PARP4 HTR2A 3621/4885HTR2C 3594/4885LIPG 2690/4885

“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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