SCHEMBL4065318

SCHEMBL4065318

CSc1ncc(Br)c(NC2CCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GABBR2 O75899 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
MERTK Q12866 1/20 0.45
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
HPGDS O60760 2/20 0.40
ADORA1 P30542 2/20 0.39
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL29991645 1.00 KMT2A (0.50) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL16429175 0.87 MERTK (0.60) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL16429174 0.87 MERTK (0.60) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL6519437 0.85 CCNT1 (0.43) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL6519445 0.85 CCNT1 (0.43) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL13812977 0.83 GABBR2 (0.51) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL13812973 0.82 KMT2A (0.50) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL22184570 0.81 KMT2A (0.47) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL27225170 0.81 KMT2A (0.49) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL6523630 0.80 JAK2 (0.61) JAK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039903-A2 CDK2 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-02-22 WO disclosed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP 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 (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-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 KMT2A 669/4885MEN1 3353/4885GABBR2 4301/4885

“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.