SCHEMBL9654390

SCHEMBL9654390

C=Nc1ccc(CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.52
▸ NOS1 P29475 2/20 0.52
▸ NOS2 P35228 2/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.50
▸ LOXL2 Q9Y4K0 7/20 0.48
▸ ABAT P80404 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ F11 P03951 1/20 0.39
▸ PNMT P11086 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL2202977 0.78 NOS3 (0.56) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL2202972 0.78 NOS3 (0.56) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL13364828 0.78 CYP3A4 (0.48) NOS3NOS1NOS2CA1CA2
SCHEMBL28123936 0.77 NOS3 (0.50) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL15828 0.76 HRH3 (0.79) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL27238704 0.76 HRH3 (0.79) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL24423474 0.74 NOS3 (0.52) NOS3NOS1NOS2HRH3LOXL2
SCHEMBL12182788 0.74 TSHR (0.43) —
SCHEMBL18625893 0.74 NOS3 (0.50) NOS3NOS1NOS2CA1CA2
SCHEMBL12955721 0.74 PLAU (0.52) TAAR1CA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 — — US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 — — US disclosed
US-5166334-A 1',2,3,3',4,4'-hexa-O-methylsucrose HAWAIIAN SUGAR PLANTER'S ASS. (US) 1992-11-24 — — 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-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 NOS3 2079/4885NOS1 3032/4885NOS2 2189/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS NOS3 4096/4885NOS1 3503/4885NOS2 3310/4885

“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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