SCHEMBL10025631

SCHEMBL10025631

N#Cc1nc(C(F)(F)F)n2c1CNCC2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL10025680 0.78 ADRB1 (0.33) —
SCHEMBL27800792 0.76 — —
SCHEMBL19705565 0.76 HTR2C (0.33) —
SCHEMBL14962429 0.76 — —
Hydrochloric Acid SCHEMBL14956310 0.75 ADRB2 (0.31) —
SCHEMBL14956735 0.73 LIPG (0.30) —
SCHEMBL14955967 0.72 HTR2A (0.33) —
Hydrochloric Acid SCHEMBL27779214 0.71 — —
Trifluoroacetic Acid SCHEMBL27861538 0.71 GPR6 (0.36) ALDH1A1
SCHEMBL10025712 0.71 SCN9A (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 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 CTSS 1942/4885CTSK 361/4885ALDH1A1 391/4885
US-20130131068-A1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF PARP1, PARP2, PARP4 CTSS 2165/4885CTSK 457/4885ALDH1A1 274/4885

“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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