SCHEMBL21080891

SCHEMBL21080891

O=C(O)NC1CCC(NC(=O)c2cnc(Cl)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.52
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NR3C1 P04150 2/20 0.42
▸ CRHR1 P34998 2/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL21080890 1.00 HPGD (0.52) HPGDRAB9ANPC1SMN1; SMN2P2RX7
SCHEMBL30606157 0.94 HPGD (0.58) HPGDRAB9ANPC1SMN1; SMN2P2RX7
SCHEMBL26100982 0.94 HPGD (0.58) HPGDRAB9ANPC1SMN1; SMN2P2RX7
SCHEMBL31171348 0.85 HPGD (0.47) HPGDRAB9ANPC1SMN1; SMN2P2RX7
SCHEMBL31171408 0.84 HPGD (0.51) HPGDRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL21080597 0.84 SMYD3 (0.48) HPGDRAB9ANPC1SMN1; SMN2P2RX7
SCHEMBL21080599 0.84 SMYD3 (0.48) HPGDRAB9ANPC1SMN1; SMN2P2RX7
SCHEMBL30751129 0.82 HPGD (0.46) HPGDRAB9ANPC1KMT2A
SCHEMBL21161737 0.82 HPGD (0.46) HPGDRAB9ANPC1KMT2A
SCHEMBL21379161 0.81 IRAK4 (0.57) IRAK4

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 HPGD 306/4885RAB9A 1639/4885NPC1 3103/4885

“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.

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