SCHEMBL9925933

SCHEMBL9925933

CC[C@@H](Nc1ncnc2[nH]c(F)nc12)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
PIK3CD O00329 1/20 0.31
EGFR P00533 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL9884991 1.00 MAP4K4 (0.33) MAP4K4ADORA3ADORA2AADORA2BADORA1
SCHEMBL9884990 1.00 MAP4K4 (0.33) MAP4K4ADORA3ADORA2AADORA2BADORA1
SCHEMBL239850 0.86 TP53 (0.41) MAP4K4EGFRSMN1; SMN2TP53
SCHEMBL240657 0.86 TP53 (0.41) MAP4K4EGFRSMN1; SMN2TP53
SCHEMBL239202 0.84 PDE1B (0.40) MAP4K4ADORA2AADORA2BSMN1; SMN2
SCHEMBL15354461 0.82 MAP4K4 (0.36) MAP4K4EGFR
SCHEMBL15354445 0.82 MAP4K4 (0.36) MAP4K4EGFR
SCHEMBL12943561 0.82 MAP4K4 (0.36) MAP4K4EGFR
SCHEMBL179413 0.82 MAP4K4 (0.30) MAP4K4
SCHEMBL179456 0.82 MAP4K4 (0.30) MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522146-B2 Substituted Isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE LLC (US) 2016-12-20 US disclosed
US-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2016-02-04 US disclosed
US-20150283142-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 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 (4 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MAP4K4 194/4885ADORA3 926/4885ADORA2A 1048/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MAP4K4 199/4885ADORA3 366/4885ADORA2A 1252/4885
US-20150283142-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MAP4K4 430/4885ADORA3 3122/4885ADORA2A 2591/4885
US-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MAP4K4 194/4885ADORA3 926/4885ADORA2A 1048/4885

“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.