SCHEMBL21789271

SCHEMBL21789271

CC(C)(C)OC(=O)N[C@H]1CC[C@H](n2cnnn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.45
JAK2 O60674 3/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
CTSK P43235 2/20 0.41
BTK Q06187 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 3/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PRKDC P78527 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL1224593 0.80 NFKB1 (0.39) JAK1JAK2TYK2JAK3KDM1A
SCHEMBL2282363 0.79 JAK1 (0.45) JAK1JAK2TYK2JAK3KDM1A
SCHEMBL30642227 0.79 JAK1 (0.45) JAK1JAK2TYK2JAK3KDM1A
SCHEMBL23835523 0.79 SMYD3 (0.40) KMT2AL3MBTL1
SCHEMBL2280360 0.77 JAK1 (0.44) JAK1JAK2TYK2JAK3KDM1A
SCHEMBL20438292 0.76 JAK1 (0.44) JAK1JAK2KDM1AMAOBCTSK
SCHEMBL10343938 0.76 BTK (0.61) KDM1AMAOBCTSKBTKKMT2A
SCHEMBL3702157 0.76 BTK (0.61) KDM1AMAOBCTSKBTKKMT2A
SCHEMBL3702152 0.76 BTK (0.61) KDM1AMAOBCTSKBTKKMT2A
SCHEMBL1406894 0.76 BTK (0.61) KDM1AMAOBCTSKBTKKMT2A

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-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 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 (2 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-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS JAK1 169/4885JAK2 137/4885TYK2 203/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS JAK1 169/4885JAK2 137/4885TYK2 203/4885

“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.