SCHEMBL4043623

SCHEMBL4043623

COc1ccccc1Nc1nc(N)n(-c2ccc(C(=O)NCCN(C)C)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.57
KIT P10721 2/20 0.57
IRAK4 Q9NWZ3 2/20 0.57
AURKA O14965 1/20 0.57
ALDH1A1 P00352 1/20 0.49
PTK2 Q05397 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
IGF1R P08069 3/20 0.47
MAPK7 Q13164 1/20 0.46
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
SYK P43405 3/20 0.45
PARP1 P09874 1/20 0.44
GSK3A P49840 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
NTRK1 P04629 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4207870 0.85 JAK2 (0.59) FLT3KITIRAK4AURKAALDH1A1
SCHEMBL14369765 0.84 FLT3 (0.54) FLT3KITIRAK4AURKAPTK2
SCHEMBL4040253 0.81 FLT3 (0.59) FLT3KITIRAK4AURKAPTK2
SCHEMBL28784751 0.78 PARP1 (0.53) ALDH1A1SMN1; SMN2PARP1MAPTLMNA
SCHEMBL4214321 0.77 FLT3 (0.49) FLT3KITIRAK4AURKAPTK2
SCHEMBL4038584 0.77 HPGD (0.57) FLT3KITIRAK4ALDH1A1SMN1; SMN2
SCHEMBL12780207 0.76 FLT3 (0.52) FLT3KITIRAK4AURKAALDH1A1
SCHEMBL26347403 0.76 KDM4A (0.49) ALDH1A1IGF1RMAPK7CCNT1CCNA2
SCHEMBL4036278 0.75 FLT3 (0.57) FLT3KITIRAK4ALDH1A1SMN1; SMN2
SCHEMBL12780342 0.75 FLT3 (0.64) FLT3KITIRAK4AURKAPTK2

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 220/4885KIT 1144/4885IRAK4 566/4885

“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.