SCHEMBL4036342

SCHEMBL4036342

Nc1nc(Nc2ccc(C(=O)O)cc2)nn1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.66
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
JAK2 O60674 1/20 0.58
JAK1 P23458 1/20 0.58
TYK2 P29597 1/20 0.58
JAK3 P52333 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GSK3A P49840 3/20 0.55
GSK3B P49841 3/20 0.55
AURKA O14965 1/20 0.54
TSHR P16473 1/20 0.52
KIT P10721 1/20 0.52
GLA P06280 1/20 0.51
NPC1 O15118 2/20 0.51

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
SCHEMBL4047768 0.85 FLT3 (0.64) FLT3LMNASMN1; SMN2JAK2JAK3
SCHEMBL4047489 0.85 FLT3 (0.74) FLT3LMNASMN1; SMN2JAK2JAK1
SCHEMBL4040002 0.85 FLT3 (0.67) FLT3LMNASMN1; SMN2JAK2JAK1
SCHEMBL2088682 0.84 FLT3 (0.75) FLT3JAK2JAK1TYK2JAK3
SCHEMBL23000583 0.81 MAPK1 (0.70) FLT3LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12780847 0.80 BACE1 (0.58) FLT3SMN1; SMN2JAK2JAK1TYK2
SCHEMBL12779220 0.80 FLT3 (1.00) FLT3SMN1; SMN2JAK2CA12CA1
SCHEMBL4039312 0.80 FLT3 (0.62) FLT3LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2088175 0.79 FLT3 (0.63) FLT3LMNASMN1; SMN2JAK2JAK1
SCHEMBL12779226 0.78 FLT3 (0.60) FLT3LMNASMN1; SMN2JAK2JAK1

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 FLT3 220/4885LMNA 3537/4885SMN1; SMN2 3129/4885

“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.