Sugi Predict

Sugi Predict / Compounds / SCHEMBL4040196

SCHEMBL4040196

SCHEMBL4040196

CCN(CC)c1ccc(Nc2nc(N)n(-c3cccc(C)n3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.48
▸ KIT P10721 5/20 0.48
▸ AXL P30530 7/20 0.45
▸ BACE1 P56817 6/20 0.45
▸ JAK2 O60674 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ NPY5R Q15761 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCND2 P30279 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL4036203 0.85 AXL (0.52) FLT3KITAXLBACE1JAK2
SCHEMBL4044428 0.84 FLT3 (0.69) FLT3KITAXLJAK2AURKA
SCHEMBL4041532 0.82 NPY5R (0.47) FLT3KITAXLBACE1JAK2
SCHEMBL4043603 0.81 FLT3 (0.57) FLT3KITNPY5RKDM1AALDH1A1
SCHEMBL4045278 0.81 FLT3 (0.73) FLT3KITAXLBACE1JAK2
SCHEMBL12780244 0.77 FLT3 (0.48) FLT3KITAXLBACE1JAK2
SCHEMBL4037300 0.77 FLT3 (0.64) FLT3KITAXLJAK2AURKA
SCHEMBL4038234 0.76 FLT3 (0.72) FLT3KITAXLBACE1JAK2
SCHEMBL4043484 0.75 FLT3 (0.57) FLT3KITAXLBACE1JAK2
SCHEMBL4040982 0.75 BACE1 (0.46) FLT3KITAXLBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128375-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2014-05-08 — — US disclosed
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 (2 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-20140128375-A1 BENZAZEPINE COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL FLT3 1761/4885KIT 212/4885AXL 3562/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 FLT3 220/4885KIT 1144/4885AXL 762/4885

“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.