SCHEMBL21162012

SCHEMBL21162012

CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2cc([Si](C)(C)C)on2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
JAK1 P23458 2/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
GAA P10253 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
BTK Q06187 1/20 0.39
DRD2 P14416 2/20 0.38
CHRM1 P11229 1/20 0.37
EPHX2 P34913 1/20 0.37
USP30 Q70CQ3 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL30751132 1.00 KDM1A (0.42) KDM1AMAOBLIPGJAK1JAK2
SCHEMBL21080214 0.82 SMYD3 (0.40)
SCHEMBL21080211 0.82 SMYD3 (0.40)
SCHEMBL31662188 0.79 BTK (0.42) KDM1AMAOBLIPGJAK1JAK2
SCHEMBL19742959 0.76 NPC1 (0.64)
SCHEMBL30216297 0.73 JAK1 (0.50) KDM1AMAOBJAK1JAK2TYK2
SCHEMBL10343938 0.73 BTK (0.61) KDM1AMAOBGAABTKDRD2
SCHEMBL3702157 0.73 BTK (0.61) KDM1AMAOBGAABTKDRD2
SCHEMBL3702152 0.73 BTK (0.61) KDM1AMAOBGAABTKDRD2
SCHEMBL1406894 0.73 BTK (0.61) KDM1AMAOBGAABTKDRD2

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 KDM1A 2214/4885MAOB 90/4885LIPG 4767/4885

“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.