SCHEMBL19176554

SCHEMBL19176554

C=CC(=O)N[C@H]1CC(C2CCCC2)CC[C@H]1Nc1nc(Nc2cc(C(N)=O)ccc2C)ncc1Cl

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 17/20 0.84
▸ LRRK2 Q5S007 1/20 0.44
▸ FGFR4 P22455 1/20 0.42
▸ KDR P35968 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41

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
SCHEMBL19176670 1.00 MAPK3 (0.84) MAPK3LRRK2FGFR4KDRAURKB
SCHEMBL19176602 1.00 MAPK3 (0.84) MAPK3LRRK2FGFR4KDRAURKB
SCHEMBL18857671 0.99 MAPK3 (0.82) MAPK3LRRK2FGFR4KDRAURKB
SCHEMBL21894210 0.98 MAPK3 (0.81) MAPK3LRRK2FGFR4KDRAURKB
SCHEMBL21894347 0.98 MAPK3 (0.81) MAPK3LRRK2FGFR4KDRAURKB
SCHEMBL18469824 0.95 MAPK3 (0.82) MAPK3LRRK2FGFR4
SCHEMBL15938571 0.91 MAPK3 (1.00) MAPK3LRRK2FGFR4KDRAURKB
SCHEMBL15938881 0.91 MAPK3 (1.00) MAPK3LRRK2FGFR4KDRAURKB
SCHEMBL15938884 0.91 MAPK3 (1.00) MAPK3LRRK2FGFR4KDRAURKB
SCHEMBL15938250 0.91 MAPK3 (1.00) MAPK3LRRK2FGFR4KDRAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — 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 (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-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPK3 3/4885LRRK2 467/4885FGFR4 868/4885

“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.

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