SCHEMBL19004754

SCHEMBL19004754

Cc1cc(-c2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)ccc1N1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 15/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ GSK3B P49841 3/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.43

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
SCHEMBL19004309 1.00 ABL1 (0.46) ABL1LRRK2GSK3BMAPK14MAP4K1
SCHEMBL19004679 0.91 ABL1 (0.48) ABL1LRRK2MAP4K1
SCHEMBL19004572 0.91 ABL1 (0.48) ABL1LRRK2MAP4K1
SCHEMBL18983737 0.86 TYK2 (0.46) ABL1LRRK2GSK3BMAPK14MAP4K1
SCHEMBL19004306 0.83 GSK3B (0.54) ABL1GSK3BMAPK14PIK3C3
SCHEMBL19004621 0.83 GSK3B (0.54) ABL1GSK3BMAPK14PIK3C3
SCHEMBL19004469 0.81 GSK3B (0.54) ABL1GSK3BMAPK14PIK3C3
SCHEMBL19004456 0.81 GSK3B (0.56) ABL1GSK3BMAPK14PIK3C3
SCHEMBL18984171 0.77 TYK2 (0.48) ABL1LRRK2GSK3BMAP4K1
Hydrochloric Acid SCHEMBL22659557 0.76 ABL1 (0.52) ABL1LRRK2MAP4K1

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-10316049-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-06-11 — — US disclosed
WO-2017106556-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-06-22 — — WO disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 — — 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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ABL1 176/4885LRRK2 381/4885GSK3B 417/4885
US-10316049-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS ABL1 176/4885LRRK2 381/4885GSK3B 417/4885

“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.

Send feedback