SCHEMBL17422280

SCHEMBL17422280

CN1CCN(CCOc2cc(F)c(N3CCN(C(=O)O)CC3)c(F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNA5 P22460 6/20 0.43
DRD3 P35462 5/20 0.43
HTR1B P28222 1/20 0.42
DRD2 P14416 2/20 0.42
CCR4 P51679 2/20 0.41
LTA4H P09960 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL17422262 0.89 KDM4E (0.47) KDM4EALDH1A1LTA4H
SCHEMBL18879732 0.89 MEN1 (0.49) KDM4EALDH1A1DRD3DRD2CCR4
SCHEMBL18954274 0.88 KDM4E (0.49) KDM4EALDH1A1CCR4LTA4HRAB9A
SCHEMBL18879730 0.83 CCR4 (0.51) KDM4EALDH1A1CCR4LTA4HMEN1
SCHEMBL17422292 0.82 FFAR4 (0.38) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL18879739 0.82 CCR4 (0.52) KDM4EALDH1A1CCR4LTA4H
SCHEMBL18879719 0.81 CCR4 (0.55) KDM4EALDH1A1CCR4LTA4HRAB9A
SCHEMBL18876442 0.81 MEN1 (0.42) KDM4EALDH1A1DRD3CCR4LTA4H
SCHEMBL18879767 0.81 MEN1 (0.42) KDM4EALDH1A1CCR4LTA4HRAB9A
SCHEMBL20584234 0.80 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2A

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-3166946-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
EP-3166945-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
WO-2016006975-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 WO disclosed
WO-2016006974-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE 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 1255/4885ALDH1A1 2244/4885KCNA5 3389/4885
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT KDM4E 1073/4885ALDH1A1 1644/4885KCNA5 1538/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 KDM4E 1541/4885ALDH1A1 2275/4885KCNA5 1478/4885

“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.