SCHEMBL3516113

SCHEMBL3516113

CN1CCN(C(=O)c2ccc(Nc3nccc(NC(=O)c4c(Cl)cccc4Cl)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.54
MAPK14 Q16539 2/20 0.54
ABL1 P00519 1/20 0.54
PDGFRB P09619 1/20 0.54
KIT P10721 1/20 0.54
PDGFRA P16234 1/20 0.54
WEE1 P30291 1/20 0.54
LCK P06239 1/20 0.54
CCNT1 O60563 1/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
CDK9 P50750 1/20 0.54
CDK6 Q00534 1/20 0.54
CDK11A Q9UQ88 1/20 0.54
NTRK1 P04629 1/20 0.51
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
JAK2 O60674 1/20 0.49
AXL P30530 2/20 0.48
EGFR P00533 2/20 0.48

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
SCHEMBL3516063 0.89 AURKA (0.56) KITNTRK1JAK2EGFRAURKA
SCHEMBL5997968 0.84 MAPK14 (0.74) SRCMAPK14ABL1PDGFRBKIT
SCHEMBL3513048 0.84 TYK2 (0.64) MAPK14LCKCCNT1CDK4CCND1
SCHEMBL3514873 0.83 CCNT1 (0.53) SRCMAPK14ABL1PDGFRBKIT
SCHEMBL3516179 0.82 AURKA (0.68) JAK2AURKAAURKB
SCHEMBL3512434 0.80 JAK2 (0.54) LCKCDK2JAK2AURKAAURKB
SCHEMBL3211911 0.79 NTRK1 (0.53) SRCMAPK14ABL1PDGFRBKIT
SCHEMBL3515247 0.79 JAK2 (0.64) KITCDK1CDK2JAK2AURKA
SCHEMBL3513072 0.78 TYK2 (0.62) JAK2AURKAAURKB
SCHEMBL3515174 0.78 PDPK1 (0.52) JAK2AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SRC 42/4885MAPK14 198/4885ABL1 4/4885

“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.