SCHEMBL3514873

SCHEMBL3514873

CN1CCN(C(=O)c2ccc(Nc3cc(NC(=O)c4c(Cl)cccc4Cl)ncn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.53
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
CDK9 P50750 1/20 0.53
CDK6 Q00534 1/20 0.53
CDK11A Q9UQ88 1/20 0.53
ABL1 P00519 7/20 0.52
BCR P11274 6/20 0.52
LCK P06239 5/20 0.51
MAPK14 Q16539 2/20 0.51
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
SRC P12931 1/20 0.49
PDGFRA P16234 1/20 0.49
EGFR P00533 1/20 0.48
ERBB3 P21860 1/20 0.48
WEE1 P30291 1/20 0.47
POLB P06746 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
NTRK1 P04629 1/20 0.47

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
SCHEMBL3515509 0.89 GRM5 (0.47) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL3512548 0.88 ALDH1A1 (0.51) ABL1BCRLCKEGFRERBB3
SCHEMBL3513048 0.87 TYK2 (0.64) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL3516113 0.83 SRC (0.54) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL5997968 0.82 MAPK14 (0.74) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL374470 0.82 FGFR3 (0.56) ABL1BCRLCKMAPK14PDGFRB
SCHEMBL1706744 0.81 JAK2 (0.58) CDK4CCND1CDK9EGFRERBB3
SCHEMBL3512536 0.79 CYP1A2 (0.55) ABL1LCKPDGFRBKITSRC
SCHEMBL12517893 0.78 TNNI3K (0.64) EGFR
SCHEMBL3515692 0.77 TYK2 (0.59) CCNT1CDK9EGFR

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 CCNT1 644/4885CDK4 161/4885CCND1 619/4885

“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.