SCHEMBL10025744

SCHEMBL10025744

O=C(NCC1CC1)c1nc(C(F)(F)F)n2c1CNCC2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 2/20 0.37
▸ HDAC6 Q9UBN7 5/20 0.36
▸ HDAC4 P56524 4/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ MLYCD O95822 1/20 0.34
▸ HTR4 Q13639 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ NAPEPLD Q6IQ20 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33

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
Hydrochloric Acid SCHEMBL14956523 0.99 CACNA1I (0.38) CACNA1IHDAC6HDAC4PDE4APDE4B
SCHEMBL10025673 0.85 OPRD1 (0.33) HDAC6HDAC4PDE4APDE4BPDE4C
SCHEMBL10025682 0.81 CFTR (0.33) —
SCHEMBL10025743 0.79 HTR2C (0.32) —
SCHEMBL14955967 0.78 HTR2A (0.33) —
SCHEMBL10025712 0.76 SCN9A (0.33) —
SCHEMBL2858951 0.76 HTR2A (0.32) —
SCHEMBL2853306 0.76 GSK3B (0.31) GSK3B
SCHEMBL10025558 0.76 DPP4 (0.43) —
SCHEMBL10025742 0.74 KDM4E (0.46) HDAC4ACACBACACA

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 CACNA1I 4789/4885HDAC6 25/4885HDAC4 49/4885
US-20130131068-A1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF PARP1, PARP2, PARP4 CACNA1I 4714/4885HDAC6 43/4885HDAC4 70/4885

“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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