Sugi Predict

Sugi Predict / Compounds / SCHEMBL4040333

SCHEMBL4040333

SCHEMBL4040333

CSc1nc(Nc2ccccc2)cc(-n2nc(NC3CCCCC3)nc2N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 5/20 0.41
▸ GALR1 P47211 5/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ KIT P10721 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 1/20 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
SCHEMBL4038880 0.86 CSNK2A1 (0.40) GALR1MEN1KMT2AKITFLT3
SCHEMBL2086601 0.86 FLT3 (0.45) MEN1KMT2AKITFLT3MAPT
SCHEMBL4040651 0.84 LMNA (0.42) MEN1KMT2AKITFLT3MAPT
SCHEMBL12780582 0.82 NPY5R (0.45) GALR2GALR1MEN1GSK3AGSK3B
SCHEMBL4040822 0.82 FLT3 (0.45) MEN1KMT2AKITFLT3MAPT
SCHEMBL4044430 0.79 MEN1 (0.44) MEN1GSK3AGSK3BBLMCDK5
SCHEMBL4038207 0.77 FLT3 (0.46) GALR2GALR1MEN1KMT2AKIT
SCHEMBL4038717 0.77 FLT3 (0.58) MEN1KMT2AKITFLT3MAPT
SCHEMBL12779937 0.76 MEN1 (0.44) MEN1GSK3AGSK3BBLMCDK5
SCHEMBL12780181 0.76 FLT3 (0.46) KITFLT3LMNAAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 — — EP disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 GALR2 3852/4885GALR1 4090/4885MEN1 1392/4885

“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.