SCHEMBL18922136

SCHEMBL18922136

CCC(C)(CC)c1ccnc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.55
NOS2 P35228 6/20 0.55
NOS1 P29475 4/20 0.50
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37

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
SCHEMBL18922142 0.90 NOS2 (0.49) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL18879382 0.86 NOS3 (0.57) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL20709031 0.80 CCR1 (0.41) NOS3NOS2NOS1MEN1KMT2A
SCHEMBL84142 0.79 NOS3 (0.63) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL29433371 0.79 NOS3 (0.63) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL22670291 0.79 NOS3 (0.63) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL20283746 0.78 UHRF1 (0.45) PRKCQDYRK1AAAK1
SCHEMBL18431456 0.78 NOS2 (0.52) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL22453287 0.77 MKNK1 (0.43) NOS3NOS2PRKCQAAK1MKNK1
SCHEMBL21972604 0.77 ESR1 (0.38) MEN1KMT2APRKCQ

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-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 US disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 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-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB NOS3 4398/4885NOS2 4645/4885NOS1 4656/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB NOS3 4398/4885NOS2 4645/4885NOS1 4656/4885

“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.