SCHEMBL19012686

SCHEMBL19012686

CC(C)(C)c1ccc(N2CC3CC2CO3)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ MAP3K12 Q12852 5/20 0.36
▸ MTOR P42345 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ SOS1 Q07889 4/20 0.35
▸ ATM Q13315 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34

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
SCHEMBL21256815 0.82 SOS1 (0.39) KCNQ3KCNQ2MAP3K12MTORPIK3CA
SCHEMBL12082429 0.82 SOS1 (0.39) KCNQ3KCNQ2MAP3K12MTORPIK3CA
SCHEMBL21256819 0.82 SOS1 (0.39) KCNQ3KCNQ2MAP3K12MTORPIK3CA
SCHEMBL30206581 0.79 MAP3K12 (0.39) MAP3K12MTORPIK3CAPRKDCSYK
SCHEMBL15399356 0.79 MAP3K12 (0.44) MAP3K12MTORPIK3CAPRKDCSOS1
SCHEMBL19221771 0.79 MAP3K12 (0.44) MAP3K12MTORPIK3CAPRKDCSOS1
SCHEMBL30206213 0.79 MAP3K12 (0.39) MAP3K12MTORPIK3CAPRKDCSYK
SCHEMBL15399039 0.79 MAP3K12 (0.44) MAP3K12MTORPIK3CAPRKDCSOS1
SCHEMBL25889732 0.79 MAP3K12 (0.39) MAP3K12MTORPIK3CAPRKDCSYK
SCHEMBL25889731 0.79 MAP3K12 (0.39) MAP3K12MTORPIK3CAPRKDCSYK

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-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

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 KCNQ3 1860/4885KCNQ2 1429/4885MAP3K12 484/4885

“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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