SCHEMBL17469773

SCHEMBL17469773

NC(=O)c1ccc(C#Cc2c(N)ncc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.52
GRM5 P41594 1/20 0.47
CHEK2 O96017 6/20 0.41
MKNK1 Q9BUB5 3/20 0.41
PARP10 Q53GL7 2/20 0.41
ATR Q13535 2/20 0.39
PRKDC P78527 1/20 0.39
ATM Q13315 1/20 0.39
CHEK1 O14757 1/20 0.38
MKNK2 Q9HBH9 2/20 0.37
NNMT P40261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL17469783 0.87 FLT3 (0.52) FLT3GRM5
SCHEMBL17469805 0.85 FLT3 (0.71) FLT3GRM5
SCHEMBL7258784 0.83 FLT3 (0.45) FLT3GRM5SMN1; SMN2
SCHEMBL21103785 0.83 FLT3 (0.76) FLT3GRM5CHEK2MKNK1MKNK2
SCHEMBL17459806 0.81 FLT3 (0.47) FLT3ATR
SCHEMBL19006332 0.78 FLT3 (0.43) FLT3
SCHEMBL19891381 0.75 PIK3CA (0.43) FLT3GRM5
SCHEMBL23599995 0.74 ATR (0.48) ATRSMN1; SMN2
SCHEMBL19891424 0.74 PIK3CA (0.37) FLT3GRM5
SCHEMBL21152882 0.73 FLT3 (0.39) FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198208-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2021-07-01 US disclosed
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
WO-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 WO 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 (3 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-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B FLT3 2354/4885GRM5 4401/4885CHEK2 145/4885
US-20210198208-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES MCL1, ABL1, FLT3 FLT3 3/4885GRM5 755/4885CHEK2 563/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B FLT3 2354/4885GRM5 4401/4885CHEK2 145/4885

“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.