SCHEMBL21162008

SCHEMBL21162008

CC(C)c1ccc(N2CC3CC(C2)O3)nc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.47
CCR6 P51684 1/20 0.42
SOS1 Q07889 9/20 0.38
PANK3 Q9H999 4/20 0.36
OGA O60502 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL276991 0.84 KMT2A (0.49) ACACBTLR9TLR8TLR7
SCHEMBL17108649 0.84 KMT2A (0.49) ACACBTLR9TLR8TLR7
SCHEMBL11402871 0.82 ACACB (0.50) ACACBPANK3OGA
SCHEMBL13466381 0.81 ACACB (0.52) ACACBPANK3OGA
SCHEMBL13187881 0.81 ACACB (0.49) ACACBPANK3OGA
SCHEMBL10121068 0.81 ACACB (0.49) ACACBPANK3OGA
SCHEMBL29929322 0.81 ACACB (0.52) ACACBPANK3OGA
SCHEMBL18782870 0.78 ACACB (0.47) ACACBPANK3OGA
SCHEMBL13155029 0.78 ACACB (0.56) ACACBPANK3
SCHEMBL12257614 0.78 ACACB (0.47) ACACBPANK3OGA

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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 ACACB 3228/4885CCR6 3887/4885SOS1 4416/4885

“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.