SCHEMBL18879756

SCHEMBL18879756

CN1CCN(c2c(F)cc(CN3CCOCC3)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CHKA P35790 2/20 0.43
▸ CYP2A13 Q16696 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ WDR5 P61964 7/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NCF1 P14598 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 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
SCHEMBL17432212 0.92 WDR5 (0.45) HRH3MAPTL3MBTL1CHKACYP2A13
SCHEMBL18879716 0.91 CHKA (0.50) MAPTCHKASMN1; SMN2KDM4EALDH1A1
SCHEMBL18876443 0.85 HRH3 (0.51) HRH3MAPTCYP2A13SMN1; SMN2
SCHEMBL17431925 0.85 ALDH1A1 (0.47) MAPTCHKASMN1; SMN2KDM4EALDH1A1
SCHEMBL18970042 0.84 MAPT (0.43) HRH3MAPTCYP2A13SMN1; SMN2NCF1
SCHEMBL18876445 0.82 HRH3 (0.46) HRH3MAPTCHKAKDM4EALDH1A1
SCHEMBL18970043 0.81 ALDH1A1 (0.48) MAPTCHKASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL17422312 0.81 HRH3 (0.42) HRH3MAPTCYP2A13SMN1; SMN2ALDH1A1
SCHEMBL17432251 0.81 CHKA (0.45) MAPTCHKAKDM4EALDH1A1NCF1
SCHEMBL17422227 0.80 SMN1; SMN2 (0.45) HRH3MAPTSMN1; SMN2ALDH1A1

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 5 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

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 HRH3 3759/4885MAPT 44/4885L3MBTL1 3531/4885
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT HRH3 3441/4885MAPT 37/4885L3MBTL1 4048/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 HRH3 3679/4885MAPT 46/4885L3MBTL1 3852/4885

“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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