SCHEMBL21079892

SCHEMBL21079892

COC(=O)c1cnc(Cl)cc1NC1CC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.45
CHEK2 O96017 3/20 0.45
OPRK1 P41145 5/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ABL1 P00519 1/20 0.36
HPGDS O60760 1/20 0.36
KDM4E B2RXH2 1/20 0.35
YAP1 P46937 1/20 0.35
GAA P10253 1/20 0.35
TNF P01375 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PCSK9 Q8NBP7 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
SCHEMBL21080824 1.00 CHEK1 (0.45) CHEK1CHEK2OPRK1LMNAMAPK1
SCHEMBL4406630 0.89 CHEK1 (0.47) CHEK1CHEK2OPRK1LMNAMAPK1
SCHEMBL21079439 0.89 OPRK1 (0.48) CHEK1CHEK2OPRK1TNFIRAK4
SCHEMBL15688851 0.86 YAP1 (0.48) CHEK1CHEK2OPRK1KDM4EYAP1
SCHEMBL618287 0.84 CHEK1 (0.63) CHEK1CHEK2OPRK1GAA
SCHEMBL21080225 0.84 CHEK1 (0.42) CHEK1CHEK2OPRK1LMNAMAPK1
SCHEMBL21080223 0.84 CHEK1 (0.42) CHEK1CHEK2OPRK1LMNAMAPK1
SCHEMBL21724833 0.83 OPRK1 (0.46) CHEK1CHEK2OPRK1MAPK1IRAK4
SCHEMBL30201761 0.83 OPRK1 (0.46) CHEK1CHEK2OPRK1MAPK1IRAK4
SCHEMBL22553554 0.81 CHEK1 (0.43) CHEK1CHEK2OPRK1HPGDSIRAK4

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
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

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 CHEK1 3570/4885CHEK2 1841/4885OPRK1 849/4885

“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.