SCHEMBL4038880

SCHEMBL4038880

CSc1nc(Nc2ccccc2)cc(-n2nc(NCC3CCCCC3)nc2N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
VCP P55072 1/20 0.38
PPARG P37231 1/20 0.38
FLT3 P36888 2/20 0.37
KIT P10721 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
CDK2 P24941 2/20 0.36
BACE1 P56817 2/20 0.36
APP P05067 1/20 0.36
AXL P30530 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
GALR1 P47211 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
GPR39 O43194 1/20 0.34

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
SCHEMBL4040333 0.86 GALR2 (0.41) MEN1KMT2AFLT3KITGALR1
SCHEMBL2086601 0.83 FLT3 (0.45) MEN1KMT2AFLT3KITBACE1
SCHEMBL12780588 0.83 FLT3 (0.43) CSNK2A1MEN1KMT2AVCPFLT3
SCHEMBL4040651 0.81 LMNA (0.42) MEN1KMT2AFLT3KITBACE1
SCHEMBL4040822 0.80 FLT3 (0.45) MEN1KMT2AFLT3KITBACE1
SCHEMBL4038207 0.75 FLT3 (0.46) MEN1KMT2AFLT3KITAXL
SCHEMBL4038717 0.75 FLT3 (0.58) MEN1KMT2AFLT3KITAXL
SCHEMBL12780181 0.74 FLT3 (0.46) FLT3KITAXLLMNA
SCHEMBL12781973 0.73 HTT (0.47) MEN1KMT2AFLT3KITAXL
SCHEMBL4037535 0.70 FLT3 (0.44) FLT3KITAXLMAPTLMNA

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 CSNK2A1 138/4885MEN1 1392/4885KMT2A 912/4885

“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.