SCHEMBL19768699

SCHEMBL19768699

Cc1cc(C)c(NC(=O)c2sc(NC(=O)[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)nc2C)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.64
CNR2 P34972 1/20 0.50
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CNR1 P21554 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
SCHEMBL774495 1.00 LCK (0.64) LCKCNR2LMNAHTTRAB9A
SCHEMBL3577070 0.81 RAB9A (0.61) LCKCNR2LMNAHTTRAB9A
SCHEMBL3591075 0.80 CNR2 (0.56) CNR2LMNAHTTRAB9ANPSR1
SCHEMBL773488 0.80 LCK (0.82) LCK
SCHEMBL6057987 0.80 LCK (0.69) LCKCNR1
SCHEMBL14503275 0.79 ALDH1A1 (0.56) CNR2LMNA
SCHEMBL773293 0.79 LCK (0.65) LCK
SCHEMBL1540000 0.79 LCK (1.00) LCK
SCHEMBL773594 0.79 LCK (0.85) LCK
SCHEMBL15891867 0.78 LCK (0.78) LCKHTT

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-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-18 US disclosed
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-18 US disclosed
US-20150366972-A1 METHODS AND MATERIALS FOR THERAPEUTIC DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-24 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 (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-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885CNR2 4135/4885LMNA 4599/4885
US-20150366972-A1 METHODS AND MATERIALS FOR THERAPEUTIC DELIVERY HTT, HDGF, PAM LCK 2131/4885CNR2 2986/4885LMNA 1545/4885

“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.