SCHEMBL19644053

SCHEMBL19644053

COC(=O)c1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.54
GAK O14976 2/20 0.50
CLK4 Q9HAZ1 5/20 0.48
KDR P35968 4/20 0.48
STK17A Q9UEE5 3/20 0.48
CLK2 P49760 3/20 0.48
HIPK4 Q8NE63 2/20 0.48
SRPK1 Q96SB4 2/20 0.48
MAP3K20 Q9NYL2 2/20 0.48
IRAK1 P51617 1/20 0.48
NEK4 P51957 1/20 0.48
MAP4K2 Q12851 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
GSK3A P49840 5/20 0.48
GSK3B P49841 5/20 0.48
PRKD3 O94806 2/20 0.48
MAP4K4 O95819 2/20 0.48
AURKB Q96GD4 2/20 0.48
PRKD2 Q9BZL6 2/20 0.48

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
SCHEMBL26965996 0.90 CFTR (0.43) CFTRGAKCLK4KDRSTK17A
SCHEMBL22492480 0.89 CFTR (0.54) CFTRGAKCLK4KDRSTK17A
SCHEMBL26965972 0.86 PSMD14 (0.43) CFTRGAKPSMD14
SCHEMBL26965975 0.85 PSMD14 (0.42) CFTRGAKPSMD14
SCHEMBL5757387 0.82 KDM4C (0.51) CLK4KDRSTK17ACLK2HIPK4
SCHEMBL30717939 0.82 KDM4C (0.51) CLK4KDRSTK17ACLK2HIPK4
SCHEMBL20944468 0.82 MAP2K1 (0.48) CFTRGSK3AGSK3B
SCHEMBL31153486 0.81 GAK (0.47) GAKCLK4KDRACVR1PSMD14
SCHEMBL1642916 0.81 CFTR (0.51) CFTRGAKCLK4KDRSTK17A
SCHEMBL11464801 0.80 GAK (0.53) CFTRGAKCLK4KDRSTK17A

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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
EP-3463341-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2019-04-10 EP disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 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 (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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI CFTR 3388/4885GAK 2667/4885CLK4 4770/4885

“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.