SCHEMBL3515896

SCHEMBL3515896

Cc1cc(Nc2cc(NC(=O)c3c(Cl)cc(CNC4CC4)cc3Cl)ccn2)nc(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.52
EGFR P00533 3/20 0.51
JAK2 O60674 1/20 0.51
CDK2 P24941 1/20 0.51
KDR P35968 1/20 0.51
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
PKM P14618 1/20 0.42
MAP3K12 Q12852 1/20 0.41
MAPK1 P28482 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL3515380 0.91 TYK2 (0.56) TYK2EGFRJAK2CDK2KDR
SCHEMBL3513079 0.90 TYK2 (0.51) TYK2EGFRJAK2CDK2KDR
SCHEMBL3513085 0.89 TYK2 (0.49) TYK2EGFRJAK2CDK2KDR
SCHEMBL3513210 0.89 TYK2 (0.49) TYK2EGFRJAK2CDK2KDR
SCHEMBL13044337 0.89 LMNA (0.53) TYK2EGFRJAK2CDK2KDR
SCHEMBL3515272 0.88 EGFR (0.51) TYK2EGFRJAK2CDK2KDR
SCHEMBL3514560 0.88 TYK2 (0.54) TYK2EGFRJAK2CDK2KDR
SCHEMBL3516152 0.88 MAPT (0.54) TYK2EGFRJAK2CDK2KDR
SCHEMBL3515115 0.88 TYK2 (0.48) TYK2EGFRJAK2CDK2KDR
SCHEMBL15101624 0.86 TYK2 (0.51) TYK2EGFRJAK2CDK2KDR

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 TYK2 21/4885EGFR 212/4885JAK2 1/4885

“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.