SCHEMBL4336005

SCHEMBL4336005

Nc1nc(N(c2ccc(N3CCC(N)C3)c(Cl)n2)C2CCCC2)ncc1I

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.35
HRH4 Q9H3N8 7/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CYP2C19 P33261 1/20 0.30
PIK3CA P42336 1/20 0.30
HTR3A P46098 1/20 0.30

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
SCHEMBL4442794 0.89 PTPN11 (0.35) PTPN11HRH4MKNK1MKNK2CYP2C19
SCHEMBL4343312 0.85 JAK3 (0.37) PTPN11CYP2C19PIK3CA
SCHEMBL4445956 0.69 JAK3 (0.39) HRH4
SCHEMBL4065104 0.69 SYK (0.41) HRH4
Ammonia Solution, Strong SCHEMBL4336001 0.68 CDK4 (0.39) HRH4PIM1PIM3PIM2
SCHEMBL4067594 0.62 AURKA (0.43) HRH4
Ammonia Solution, Strong SCHEMBL4442788 0.60 CDK4 (0.39) HRH4
SCHEMBL31669332 0.57 HTR3A (0.43) PTPN11HRH4MKNK1MKNK2IRAK4
SCHEMBL31669179 0.57 HTT (0.57) HRH4IRAK4PIM1PIM3PIM2
SCHEMBL16146289 0.57 HTT (0.57) HRH4IRAK4PIM1PIM3PIM2

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-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
WO-2009014642-A1 COMBINATION OF A DE NOVO PURINE BIOSYNTHESIS INHIBITOR AND A CYCLIN DEPENDENT KINASE INHIBITOR FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2009-01-29 WO disclosed
US-20090030005-A1 Combinations for the treatment of cancer AMGEN INC. (US) 2009-01-29 US 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 PTPN11 1706/4885HRH4 1915/4885MKNK1 342/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 PTPN11 1618/4885HRH4 1102/4885MKNK1 221/4885

“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.