SCHEMBL10025673

SCHEMBL10025673

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.33
▸ ACVR1 Q04771 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSP90AB1 P08238 2/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ PIN1 Q13526 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CASP6 P55212 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
SCHEMBL10025743 0.87 HTR2C (0.32) ACVR1DPP4CFTR
SCHEMBL10025682 0.86 CFTR (0.33) DPP4MGLLCFTR
SCHEMBL10025744 0.85 CACNA1I (0.37) HDAC4HDAC6HDAC1PDE4APDE4B
Hydrochloric Acid SCHEMBL14956523 0.84 CACNA1I (0.38) HDAC4HDAC6HDAC1PDE4APDE4B
SCHEMBL2858951 0.82 HTR2A (0.32) DPP4MGLL
SCHEMBL10025558 0.81 DPP4 (0.43) DPP4MGLLKMT2AALDH1A1
SCHEMBL31699802 0.81 ALDH1A1 (0.43) CYP1A2DPP4PDE4AKMT2AALDH1A1
SCHEMBL14955967 0.80 HTR2A (0.33) —
SCHEMBL10025712 0.79 SCN9A (0.33) DPP4
SCHEMBL10025740 0.79 MGLL (0.31) MGLL

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 11 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-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
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
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 OPRD1 4019/4885ACVR1 2605/4885RXFP1 4738/4885
US-20130131068-A1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF PARP1, PARP2, PARP4 OPRD1 3710/4885ACVR1 2521/4885RXFP1 4675/4885

“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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