SCHEMBL4884376

SCHEMBL4884376

Nc1nc(N)n(-c2ccccc2F)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.48
KCNN4 O15554 3/20 0.42
BACE1 P56817 3/20 0.42
HCAR1 Q9BXC0 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK14 Q16539 1/20 0.40
ADORA1 P30542 1/20 0.40
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL11201816 0.79 FLT3 (0.49) FLT3HCAR1MAPK14ALDH1A1MGLL
SCHEMBL6181854 0.78 HTT (0.47) FLT3HCAR1KMT2AMAPK14TDP1
SCHEMBL5354248 0.74 FLT3 (0.48) FLT3KCNN4KMT2AMEN1MAPK14
SCHEMBL15557057 0.74 MPL (0.41) KCNN4HCAR1KMT2AMEN1TDP1
SCHEMBL15557050 0.74 MPL (0.41) BACE1ALDH1A1
SCHEMBL8942018 0.72 TSHR (0.58) KMT2AMEN1RAB9AALDH1A1
SCHEMBL28335490 0.72 FLT3 (0.61) FLT3BACE1ALDH1A1
SCHEMBL16458811 0.71 NUDT1 (0.46) FLT3
SCHEMBL28449970 0.70 KCNN4 (0.60) KCNN4
SCHEMBL17394113 0.70 DHODH (0.36) KCNN4BACE1KMT2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 FLT3 220/4885KCNN4 3655/4885BACE1 3044/4885

“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.