SCHEMBL17422262

SCHEMBL17422262

O=C(O)N1CCN(c2c(F)cc(OCCN3CCCCC3)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
POLB P06746 2/20 0.47
PSMB1 P20618 2/20 0.47
PSMB5 P28074 2/20 0.47
PSMB2 P49721 1/20 0.47
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
GAA P10253 1/20 0.46
LTA4H P09960 3/20 0.46
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
BACE1 P56817 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL18954274 0.89 KDM4E (0.49) KDM4EPOLBGAALTA4HALDH1A1
SCHEMBL17422280 0.89 KDM4E (0.48) KDM4ELTA4HALDH1A1
SCHEMBL17422292 0.83 FFAR4 (0.38) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL18879739 0.83 CCR4 (0.52) KDM4EPSMB1PSMB5PSMB2ESR1
SCHEMBL18879730 0.82 CCR4 (0.51) KDM4EPSMB1PSMB5PSMB2ESR1
SCHEMBL17422296 0.81 HPGD (0.54) KDM4EPOLBALDH1A1TDP1
SCHEMBL17422241 0.80 HPGD (0.52) KDM4EPOLBALDH1A1TDP1
SCHEMBL17431866 0.80 HRH3 (0.52) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL17422310 0.79 LMNA (0.37) KDM4EPOLBALDH1A1TDP1HTT
SCHEMBL21122443 0.79 PSMB1 (0.48) KDM4EPSMB1PSMB5PSMB2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166945-B1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO LTD (KR) 2019-10-09 EP disclosed
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2019-01-15 US disclosed
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 US disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 US disclosed
US-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-05-25 US disclosed
EP-3166945-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
EP-3166946-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
WO-2016006974-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 WO disclosed
WO-2016006975-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 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 (3 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-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TNKS, TPI1 KDM4E 1255/4885POLB 1508/4885PSMB1 2338/4885
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT KDM4E 1073/4885POLB 2030/4885PSMB1 1444/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 KDM4E 1541/4885POLB 1996/4885PSMB1 1436/4885

“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.