SCHEMBL20042557

SCHEMBL20042557

Bc1cc(C)c(NC(=O)c2cnc(Nc3cc(N4CC[C@H](O)C4)nc(C)n3)s2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.62
ABL1 P00519 9/20 0.59
SRC P12931 5/20 0.59
SIK2 Q9H0K1 9/20 0.57
SIK3 Q9Y2K2 9/20 0.57
SIK1 P57059 7/20 0.57
EPHB6 O15197 2/20 0.57
EGFR P00533 2/20 0.57
FYN P06241 2/20 0.57
CSF1R P07333 2/20 0.57
YES1 P07947 2/20 0.57
LYN P07948 2/20 0.57
RET P07949 2/20 0.57
HCK P08631 2/20 0.57
KIT P10721 2/20 0.57
BCR P11274 2/20 0.57
BRAF P15056 2/20 0.57
EPHA1 P21709 2/20 0.57
EPHA2 P29317 2/20 0.57
EPHA3 P29320 2/20 0.57

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
SCHEMBL20042554 1.00 LCK (0.62) LCKABL1SRCSIK2SIK3
SCHEMBL20042567 0.95 LCK (0.66) LCKABL1SRCSIK2SIK3
SCHEMBL20042601 0.92 LCK (0.64) LCKABL1SRCSIK2SIK3
SCHEMBL20289609 0.92 LCK (0.62) LCKABL1SRCSIK2SIK3
SCHEMBL20042558 0.92 LCK (0.62) LCKABL1SRCSIK2SIK3
SCHEMBL20045150 0.92 LCK (0.62) LCKABL1SRCSIK2SIK3
SCHEMBL20289390 0.92 LCK (0.63) LCKABL1SRCSIK2SIK3
SCHEMBL20289608 0.92 LCK (0.63) LCKABL1SRCSIK2SIK3
SCHEMBL20042600 0.91 LCK (0.62) LCKABL1SRCSIK2SIK3
SCHEMBL20042548 0.89 ABL1 (0.67) LCKABL1SRCSIK2SIK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236080-B2 Protein kinase inhibitors Princeton Drug Discovery, Inc (US) 2022-02-01 US disclosed
US-20200123148-A1 PROTEIN KINASE INHIBITORS PRINCETON DRUG DISCOVERY INC (US) 2020-04-23 US disclosed
US-10556897-B2 Protein kinase inhibitors Princeton Drug Discovery, Inc (US) 2020-02-11 US disclosed
US-10479786-B2 Protein kinase inhibitors Princeton Drug Discovery, Inc (US) 2019-11-19 US disclosed
US-20190071437-A1 PROTEIN KINASE INHIBITORS PRINCETON DRUG DISCOVERY INC (US) 2019-03-07 US disclosed
US-10174018-B2 Protein kinase inhibitors PRINCETON DRUG DISCOVERY INC (US) 2019-01-08 US disclosed
US-20180099961-A1 PROTEIN KINASE INHIBITORS PRINCETON DRUG DISCOVERY INC (US) 2018-04-12 US disclosed
US-20180099960-A1 PROTEIN KINASE INHIBITORS PRINCETON DRUG DISCOVERY INC (US) 2018-04-12 US disclosed
US-20180099959-A1 PROTEIN KINASE INHIBITORS PRINCETON DRUG DISCOVERY INC (US) 2018-04-12 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 (9 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-20190071437-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K2, MAP2K2 LCK 248/4885ABL1 45/4885SRC 200/4885
US-20180099960-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 LCK 313/4885ABL1 93/4885SRC 319/4885
US-20200123148-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K2, MAP2K2 LCK 248/4885ABL1 45/4885SRC 200/4885
US-10556897-B2 Protein kinase inhibitors MAP3K20, MAP3K2, MAP2K2 LCK 248/4885ABL1 45/4885SRC 200/4885
US-20180099961-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 LCK 313/4885ABL1 93/4885SRC 319/4885
US-10479786-B2 Protein kinase inhibitors MAP3K20, MAP3K19, MAP3K1 LCK 313/4885ABL1 93/4885SRC 319/4885
US-20180099959-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 LCK 313/4885ABL1 93/4885SRC 319/4885
US-10174018-B2 Protein kinase inhibitors MAP3K20, MAP3K2, MAP2K2 LCK 248/4885ABL1 45/4885SRC 200/4885
US-11236080-B2 Protein kinase inhibitors MAP3K20, MAP3K2, MAP2K2 LCK 248/4885ABL1 45/4885SRC 200/4885

“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.