SCHEMBL2085443

SCHEMBL2085443

CCN1CCN(c2cc(NN)ncn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 4/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ HRH4 Q9H3N8 6/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.48
▸ HDAC3 O15379 2/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ BCR P11274 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46
▸ HRH2 P25021 1/20 0.46
▸ LRRK2 Q5S007 2/20 0.42
▸ CHEK1 O14757 2/20 0.42

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
SCHEMBL2088712 0.83 HRH4 (0.62) HRH4HRH3HRH2
SCHEMBL2573204 0.82 KDR (0.60) HRH4HRH3HRH2LRRK2
SCHEMBL3819188 0.80 SMN1; SMN2 (0.51) HRH4HRH3HRH2CHEK1
SCHEMBL2075530 0.80 KIT (0.48) KITFLT3HRH3HDAC3ABL1
SCHEMBL2567649 0.79 SMN1; SMN2 (0.54) HRH4HRH3HRH2CHEK1
SCHEMBL1773991 0.78 HRH4 (0.77) KITFLT3HRH4HRH3HDAC3
SCHEMBL27267881 0.78 HRH4 (0.54) HRH4HRH3HRH2LRRK2
SCHEMBL2233298 0.76 LRRK2 (0.44) KITFLT3HRH3LRRK2
SCHEMBL10646296 0.76 HRH4 (0.41) HRH4HRH3HRH2CHEK1CHEK2
SCHEMBL1597538 0.76 PIK3CB (0.58) ABL1BCR

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-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-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US disclosed
CN-1738615-A Diaminotriazoles as inhibitors of protein kinases VERTEX PHARMA (US) 2006-02-22 — — CN disclosed
EP-1562589-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-17 — — EP disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 — — US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 — — WO 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 KIT 1144/4885FLT3 220/4885HRH4 1133/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 KIT 1144/4885FLT3 220/4885HRH4 1133/4885

“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.

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