SCHEMBL2289254

SCHEMBL2289254

CC(=O)Nc1ncc(-c2ccnc(Nc3ccccc3)n2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.65
JAK3 P52333 1/20 0.65
PIK3CA P42336 1/20 0.61
CDK2 P24941 3/20 0.54
CCNT1 O60563 2/20 0.54
CDK1 P06493 2/20 0.54
CCNB1 P14635 2/20 0.54
CCNA2 P20248 2/20 0.54
CDK7 P50613 2/20 0.54
CDK9 P50750 2/20 0.54
CCNH P51946 2/20 0.54
CCNA1 P78396 2/20 0.54
CAMK2D Q13557 2/20 0.53
PLK1 P53350 1/20 0.51
IKBKB O14920 4/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
CHUK O15111 1/20 0.50

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
SCHEMBL2283438 0.88 CDK2 (0.56) JAK2JAK3PIK3CACDK2CCNT1
SCHEMBL2290538 0.87 JAK2 (0.56) JAK2JAK3PIK3CACDK2CCNT1
SCHEMBL2283687 0.87 CAMK2D (0.57) JAK2JAK3PIK3CACDK2CCNT1
SCHEMBL2282212 0.85 PIK3CG (0.59) JAK2JAK3PIK3CACDK2CCNT1
SCHEMBL2354961 0.83 JAK2 (0.48) JAK2JAK3PIK3CACDK2CCNT1
SCHEMBL2286284 0.82 ZAP70 (0.57) JAK2PIK3CACDK2CCNT1CDK1
SCHEMBL2353118 0.81 JAK2 (0.46) JAK2JAK3PIK3CACDK2CCNT1
SCHEMBL2285606 0.81 CDK2 (0.67) JAK2JAK3PIK3CACDK2CCNT1
SCHEMBL4383820 0.79 JAK2 (1.00) JAK2JAK3PIK3CACAMK2DPLK1
SCHEMBL2288801 0.79 CDK2 (0.64) JAK2JAK3CDK2CCNT1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 US disclosed
CN-101309586-A Thiazole compounds as fungicides BAYER CROPSCIENCE AG (DE) 2008-11-19 CN 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX JAK2 1056/4885JAK3 844/4885PIK3CA 3293/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 JAK2 985/4885JAK3 753/4885PIK3CA 3359/4885

“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.