SCHEMBL4064990

SCHEMBL4064990

N#Cc1cnc(Nc2cc(CO)c(N3CCCC3)cn2)nc1NC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.42
PRKCQ Q04759 3/20 0.40
SYK P43405 4/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
SRC P12931 1/20 0.37
FGFR4 P22455 1/20 0.37
PRKCD Q05655 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL4070567 0.79 CDK4 (0.51) LRRK2SYK
SCHEMBL4072083 0.72 CDK4 (0.56) SYKFGFR4
SCHEMBL4071098 0.70 SYK (0.49) SYK
Bicarbonate SCHEMBL4064072 0.69 TYRO3 (0.52) LRRK2SYKCTSLCTSSCTSK
SCHEMBL30496641 0.67 PRKCQ (0.49) LRRK2PRKCQCTSLCTSSCTSK
SCHEMBL26918797 0.67 PRKCQ (0.49) LRRK2PRKCQCTSLCTSSCTSK
SCHEMBL13737198 0.67 MAPK8 (0.55) LRRK2PRKCQ
SCHEMBL14657200 0.67 MAPK8 (0.55) LRRK2PRKCQ
SCHEMBL4067249 0.67 CDK4 (0.61) SYKFGFR4
SCHEMBL26762362 0.67 MAPK8 (0.61) LRRK2PRKCQCTSK

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
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP claimed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US claimed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
US-20090030005-A1 Combinations for the treatment of cancer AMGEN INC. (US) 2009-01-29 US disclosed
EP-1740184-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
WO-2005094830-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050222163-A1 Combinations of signal transduction inhibitors PFIZER INC 2005-10-06 US disclosed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 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-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders CDK4, CCNA1, CCNI LRRK2 2318/4885PRKCQ 1123/4885SYK 2974/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 LRRK2 2641/4885PRKCQ 1494/4885SYK 354/4885

“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.