SCHEMBL19978299

SCHEMBL19978299

CN1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.40
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL19186397 0.89 PRCP (0.38) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL19607500 0.85 PRCP (0.43) PRCP
SCHEMBL16541579 0.83 PRCP (0.45) PRCP
SCHEMBL2708513 0.83 PRCP (0.45) PRCP
SCHEMBL19792198 0.82 PRCP (0.43) PRCP
SCHEMBL9977086 0.81 RPS6KB1 (0.34) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL19339538 0.80 PRCP (0.42) PRCP
SCHEMBL18080872 0.80 MAPK13 (0.40) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL19209573 0.80 MAPK13 (0.40) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL18301376 0.80 CYP3A4 (0.43) PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079744-A1 METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR SHANGHAI FOREFRONT PHARMACEUTICAL CO LTD (CN) 2018-03-22 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 (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-20180079744-A1 METHOD OF PREPARATION FOR LEDIPASVIR AND DERIVATIVE THEREOF, AND INTERMEDIATE COMPOUND FOR PREPARATION OF LEDIPASVIR POLI, SAMHD1, TYMP PRCP 750/4885MAPK13 1227/4885MAPK12 2215/4885

“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.