SCHEMBL4764375

SCHEMBL4764375

CN1CCC(C(=O)Nc2cnc3[nH]ccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.52
ABL1 P00519 2/20 0.48
KIT P10721 1/20 0.48
DYRK1A Q13627 12/20 0.48
GSK3B P49841 10/20 0.48
PIK3C3 Q8NEB9 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
WNT1 P04628 4/20 0.47
MKNK1 Q9BUB5 1/20 0.46
ACKR3 P25106 1/20 0.45

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
SCHEMBL28268277 0.89 ABL1 (0.58) ROCK2ABL1KITPIK3C3CCNT1
SCHEMBL25090827 0.81 KLKB1 (0.47) ROCK2ABL1ACKR3
SCHEMBL28269935 0.79 ABL1 (0.48) ABL1KITCCNT1CDK9
SCHEMBL4006198 0.78 ROCK2 (0.68) ROCK2ABL1
SCHEMBL30409311 0.76 CHRM5 (0.64)
SCHEMBL26347705 0.76 CHRM5 (0.64)
SCHEMBL26944401 0.76 ALDH1A1 (0.54) ABL1DYRK1AGSK3BCCNT1CCNE1
SCHEMBL28268323 0.74 POLB (0.54)
SCHEMBL28268321 0.74 POLB (0.54)
SCHEMBL3499511 0.73 KIT (0.61) ROCK2KITPIK3C3CCNT1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 US claimed
EP-1960399-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Pfizer Italia S.r.l. (IT) 2008-08-27 EP disclosed
US-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 US disclosed
WO-2007054508-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-05-18 WO disclosed
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 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-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K6, MAP3K1 ROCK2 575/4885ABL1 166/4885KIT 302/4885

“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.