SCHEMBL2298476

SCHEMBL2298476

Cc1nc2cnc3[nH]ccc3c2n1C1CCC(N2CCC(C#N)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.70
JAK3 P52333 5/20 0.70
JAK1 P23458 18/20 0.69
JAK2 O60674 17/20 0.69
AURKA O14965 1/20 0.67
PRKCA P17252 1/20 0.67
KDR P35968 1/20 0.67
CYP3A4 P08684 1/20 0.64

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
SCHEMBL12385427 0.86 JAK2 (0.90) TYK2JAK3JAK1JAK2AURKA
SCHEMBL12385607 0.86 JAK1 (0.88) TYK2JAK3JAK1JAK2CYP3A4
SCHEMBL2280828 0.86 JAK1 (0.88) TYK2JAK3JAK1JAK2CYP3A4
SCHEMBL12385611 0.85 JAK3 (0.73) TYK2JAK3JAK1JAK2CYP3A4
SCHEMBL2272902 0.85 JAK3 (0.73) TYK2JAK3JAK1JAK2CYP3A4
SCHEMBL2294847 0.83 JAK2 (0.70) TYK2JAK3JAK1JAK2AURKA
SCHEMBL2275927 0.83 JAK1 (0.80) TYK2JAK3JAK1JAK2AURKA
SCHEMBL12385587 0.83 JAK1 (0.80) TYK2JAK3JAK1JAK2AURKA
SCHEMBL14603769 0.82 JAK3 (1.00) TYK2JAK3JAK1JAK2CYP3A4
SCHEMBL12385386 0.82 JAK1 (0.74) TYK2JAK3JAK1JAK2AURKA

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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 (1 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 TYK2 827/4885JAK3 780/4885JAK1 434/4885

“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.