SCHEMBL21079439

SCHEMBL21079439

COC(=O)c1cnc(Cl)cc1N[C@H]1CCC[C@@H](O)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.48
MAPK8 P45983 9/20 0.46
MAPK9 P45984 5/20 0.46
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
IRAK4 Q9NWZ3 6/20 0.45
TNF P01375 4/20 0.45
CHEK1 O14757 2/20 0.43
CHEK2 O96017 2/20 0.43

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
SCHEMBL21080824 0.89 CHEK1 (0.45) OPRK1JAK1JAK3IRAK4TNF
SCHEMBL21079892 0.89 CHEK1 (0.45) OPRK1JAK1JAK3IRAK4TNF
SCHEMBL15688851 0.89 YAP1 (0.48) OPRK1CHEK1CHEK2
SCHEMBL15715152 0.89 JAK1 (0.59) MAPK8MAPK9JAK1JAK3IRAK4
SCHEMBL21080150 0.89 JAK1 (0.59) MAPK8MAPK9JAK1JAK3IRAK4
SCHEMBL15688762 0.89 JAK1 (0.59) MAPK8MAPK9JAK1JAK3IRAK4
SCHEMBL15714950 0.86 MAPK8 (0.46) MAPK8MAPK9JAK1JAK3IRAK4
SCHEMBL15688645 0.86 MAPK8 (0.46) MAPK8MAPK9JAK1JAK3IRAK4
SCHEMBL15688807 0.86 MAPK8 (0.46) MAPK8MAPK9JAK1JAK3IRAK4
SCHEMBL4406630 0.86 CHEK1 (0.47) OPRK1IRAK4TNFCHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 US disclosed
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 OPRK1 849/4885MAPK8 4075/4885MAPK9 4208/4885

“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.