SCHEMBL3579216

SCHEMBL3579216

CCOC(=O)c1ccc(Nc2ncc3cnn([C@H]4CCc5ccccc54)c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.50
JAK2 O60674 3/20 0.50
JAK1 P23458 3/20 0.50
TYK2 P29597 2/20 0.50
FGFR1 P11362 1/20 0.47
AURKA O14965 1/20 0.47
CCNA2 P20248 3/20 0.45
CDK2 P24941 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
THRB P10828 1/20 0.44
CDK4 P11802 2/20 0.42
CDK6 Q00534 2/20 0.42
CCND3 P30281 1/20 0.42

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
SCHEMBL3588604 0.86 GSK3B (0.47) JAK2AURKAMARK3MARK4
SCHEMBL3583884 0.86 GSK3B (0.47) JAK2AURKAMARK3MARK4
SCHEMBL3583888 0.86 GSK3B (0.47) JAK2AURKAMARK3MARK4
SCHEMBL3587815 0.86 MARK3 (0.42) AURKACCNA2CDK2CDK4CDK6
SCHEMBL1355702 0.83 AURKA (0.45) JAK2AURKAMARK3MARK4EGFR
SCHEMBL1355699 0.83 AURKA (0.45) JAK2AURKAMARK3MARK4EGFR
SCHEMBL3585284 0.82 AURKA (0.47) AURKACCNA2CDK2CDK4CCNA1
SCHEMBL1353831 0.81 MARK3 (0.41) JAK3JAK2JAK1TYK2FGFR1
SCHEMBL1355934 0.81 AURKA (0.58) JAK3JAK2JAK1TYK2FGFR1
SCHEMBL3585565 0.80 MARK3 (0.42) FGFR1AURKACCNA2CDK2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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 (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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B JAK3 920/4885JAK2 2264/4885JAK1 755/4885

“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.