Sugi Predict

Sugi Predict / Compounds / SCHEMBL4445956

SCHEMBL4445956

SCHEMBL4445956

Nc1nc(N(c2ccc(N3CCC(N)C3)cn2)C2CCCC2)ncc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.39
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA3 P32297 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ CCND2 P30279 2/20 0.34
▸ CCND3 P30281 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL4343312 0.86 JAK3 (0.37) JAK3MAPTJAK2JAK1MEN1
SCHEMBL4336005 0.69 PTPN11 (0.35) HRH4
SCHEMBL4442794 0.69 PTPN11 (0.35) HRH4
SCHEMBL25374924 0.69 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL25372739 0.69 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL5807231 0.68 CDK2 (0.38) MAPTRAB9AMEN1KMT2ACYP3A4
SCHEMBL4065385 0.68 CDK4 (0.48) JAK3CDK4CCND1CCND2CCND3
Ammonia Solution, Strong SCHEMBL4445953 0.67 CDK4 (0.48) CDK4CCND1CCND2CCND3
SCHEMBL23497899 0.65 MAPT (0.68) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL5388184 0.65 HPGD (0.62) MAPTRAB9AKMT2ACYP3A4LMNA

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 4 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
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 JAK3 513/4885CHRNB2 4446/4885CHRNB4 4284/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 JAK3 74/4885CHRNB2 4786/4885CHRNB4 4780/4885

“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.