SCHEMBL10025682

SCHEMBL10025682

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ CSF1R P07333 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
SCHEMBL10025673 0.86 OPRD1 (0.33) CFTRMGLLDPP4
SCHEMBL2858951 0.85 HTR2A (0.32) MGLLDPP4HTR2AHTR2C
SCHEMBL10025558 0.84 DPP4 (0.43) MGLLDPP4HTR2AHTR2CPARP1
SCHEMBL14955967 0.83 HTR2A (0.33) HTR2AHTR2C
SCHEMBL10025712 0.82 SCN9A (0.33) DPP4HTR2AHTR2C
SCHEMBL10025740 0.82 MGLL (0.31) MGLLHTR2AHTR2C
SCHEMBL10025744 0.81 CACNA1I (0.37) —
Hydrochloric Acid SCHEMBL14955894 0.81 MGLL (0.31) MGLLHTR2AHTR2C
SCHEMBL10025743 0.81 HTR2C (0.32) CFTRDPP4HTR2C
Hydrochloric Acid SCHEMBL14956523 0.80 CACNA1I (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9566277-B2 Methods of using phthalazinone ketone derivatives JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2017-02-14 — — US disclosed
US-9566277-B2 Methods of using phthalazinone ketone derivatives JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2017-02-14 — — US disclosed
US-9566277-B2 Methods of using phthalazinone ketone derivatives JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2017-02-14 — — US disclosed
US-20160151367-A1 METHODS OF USING PHTHALAZINONE KETONE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-02 — — US disclosed
US-20160151367-A1 METHODS OF USING PHTHALAZINONE KETONE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-02 — — US disclosed
US-20160151367-A1 METHODS OF USING PHTHALAZINONE KETONE DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-02 — — US disclosed
EP-2604610-B1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL (CN) 2016-05-11 — — EP 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
US-9273052-B2 Phthalazinone ketone derivative, preparation method thereof, and pharmaceutical use thereof JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2016-03-01 — — 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
US-20130131068-A1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2013-05-23 — — US 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
WO-2012019427-A1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 — — 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 (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 CFTR 4497/4885MGLL 3539/4885DPP4 1336/4885
US-20130131068-A1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF PARP1, PARP2, PARP4 CFTR 4187/4885MGLL 3525/4885DPP4 1054/4885

“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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