SCHEMBL18948488

SCHEMBL18948488

CCc1ccnc(C2(C#N)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
PRKCE Q02156 8/20 0.43
LRRK2 Q5S007 1/20 0.35
IDH1 O75874 6/20 0.35
PIK3CA P42336 1/20 0.33
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33

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
SCHEMBL25147287 0.90 MAP3K12 (0.42) NOS3NOS1NOS2PRKCERAF1
SCHEMBL25716154 0.84 PRMT6 (0.39) NOS3NOS1NOS2PRKCEIDH1
SCHEMBL13806000 0.78 UHRF1 (0.41) NOS3NOS1NOS2IDH1PIK3CA
SCHEMBL12173584 0.77 RECQL (0.40) PRKCEIDH1PIK3CA
SCHEMBL12173583 0.77 PRKCE (0.34) PRKCEIDH1PIK3CA
SCHEMBL24721128 0.75 FFAR4 (0.39) PRKCE
SCHEMBL12173580 0.75 MAP3K12 (0.38) PRKCEIDH1
SCHEMBL16369764 0.75 IDH1 (0.36) IDH1PIK3CA
SCHEMBL30731197 0.75 IDH1 (0.34) IDH1PIK3CARAF1BRAF
SCHEMBL29763355 0.75 IDH1 (0.41) IDH1RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
EP-3808739-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2021-04-21 EP disclosed
EP-3309152-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2018-04-18 EP disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 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-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF NOS3 3935/4885NOS1 4188/4885NOS2 4063/4885

“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.