SCHEMBL4068205

SCHEMBL4068205

Ic1cnc(Nc2ccc3[nH]ccc3n2)nc1NC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 5/20 0.43
SYK P43405 5/20 0.42
HPGDS O60760 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
PAK1 Q13153 2/20 0.36
ULK2 Q8IYT8 1/20 0.36
IGF1R P08069 1/20 0.36
PAK4 O96013 1/20 0.36
CDC7 O00311 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35

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
SCHEMBL4066946 0.87 IGF1R (0.46) ULK1SYKHPGDSIGF1R
SCHEMBL4068769 0.78 NR2F2 (0.51) SYKJAK1JAK3IGF1RFLT3
SCHEMBL4075455 0.77 SYK (0.40) ULK1SYKJAK2JAK1JAK3
SCHEMBL4065714 0.72 CDK4 (0.53) SYK
SCHEMBL4073358 0.72 CDK4 (0.57) SYK
SCHEMBL15585429 0.68 CTSS (0.57) SYKIGF1R
SCHEMBL4065104 0.68 SYK (0.41) SYK
SCHEMBL15585419 0.66 CTSS (0.54) SYKIGF1R
SCHEMBL15585437 0.65 AURKA (0.55) ULK1SYKULK2FLT3TYRO3
SCHEMBL1977604 0.65 HPGDS (0.43) ULK1HPGDSJAK1PAK1CDC7

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 11 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
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
EP-1740184-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 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
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 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-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 ULK1 1245/4885SYK 2974/4885HPGDS 954/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 ULK1 1552/4885SYK 354/4885HPGDS 596/4885

“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.