SCHEMBL19001001

SCHEMBL19001001

CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1C1CCC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.31
CA2 P00918 1/20 0.31
PARP1 P09874 1/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL19000956 0.94 PDK2 (0.33) CA2PARP1KIF11
SCHEMBL19000997 0.73 CCR1 (0.39) CA2PARP1KIF11
SCHEMBL19001126 0.71 CA2 (0.36) CA2PARP1KIF11
SCHEMBL19000989 0.71 CA2 (0.36) CA2PARP1KIF11
SCHEMBL19001002 0.71 CA2 (0.50) CA2PARP1KIF11
SCHEMBL19012437 0.71 TNF (0.40) PARP1
SCHEMBL19000998 0.71 HSD17B10 (0.40)
SCHEMBL19000996 0.69 MMP1 (0.36) CA2PARP1KIF11
SCHEMBL19000995 0.69 PARP1 (0.43) CA2PARP1
SCHEMBL19000953 0.69 ALOX5AP (0.38) CA2PARP1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 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 (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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH TLR7 3878/4885CA2 3659/4885PARP1 2982/4885

“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.