SCHEMBL18970042

SCHEMBL18970042

CC(C)(C)N1CCN(c2c(F)cc(CN3CCOCC3)cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ NCF1 P14598 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ CYP2A13 Q16696 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ CNR2 P34972 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ EPAS1 Q99814 1/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL18970043 0.86 ALDH1A1 (0.48) MAPTSMN1; SMN2
SCHEMBL18879756 0.84 HRH3 (0.47) MAPTNCF1HRH3CYP2A13SMN1; SMN2
SCHEMBL18876443 0.82 HRH3 (0.51) MAPTHRH3CYP2A13SMN1; SMN2
SCHEMBL21122495 0.78 NPC1 (0.45) HRH3SMN1; SMN2
SCHEMBL28130957 0.78 USP2 (0.50) MAPTHRH3SMN1; SMN2PIK3CA
Hydrochloric Acid SCHEMBL17422312 0.77 HRH3 (0.42) MAPTNCF1HRH3CYP2A13SMN1; SMN2
SCHEMBL17422227 0.77 SMN1; SMN2 (0.45) MAPTHRH3SMN1; SMN2HTT
SCHEMBL17432212 0.77 WDR5 (0.45) MAPTHRH3CYP2A13
SCHEMBL18879716 0.74 CHKA (0.50) MAPTNCF1SMN1; SMN2HTT
SCHEMBL14614802 0.72 PDE3B (0.46) MAPTCYP2A13SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2019-01-15 — — US disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 — — 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 (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-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT MAPT 37/4885NCF1 4161/4885HRH3 3441/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 MAPT 46/4885NCF1 3981/4885HRH3 3679/4885

“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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