SCHEMBL20476237

SCHEMBL20476237

O=[N+]([O-])c1cnc(N2CC3CC(C2)O3)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20476087 0.80 MAPT (0.61) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL15059750 0.80 HCRTR1 (0.44) ALDH1A1CYP1A2CYP2C9HPGDHCRTR1
SCHEMBL30136607 0.80 HCRTR1 (0.46) ALDH1A1CYP1A2CYP2C9HPGDHCRTR1
SCHEMBL1671875 0.76 HCRTR1 (0.44) ALDH1A1CYP1A2CYP2C9HPGDHCRTR1
SCHEMBL31177639 0.76 HCRTR1 (0.42) ALDH1A1CYP1A2CYP2C9HPGDHCRTR1
SCHEMBL31492307 0.76 HTT (0.51) ALDH1A1CYP1A2CYP2C9HPGDHCRTR1
SCHEMBL20476058 0.74 MTOR (0.38) —
SCHEMBL4966461 0.74 MAPT (0.62) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL30136676 0.74 MAPT (0.57) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL3386200 0.73 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9HPGDMAPT

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 4 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
WO-2018152368-A1 PYRROLO [1,2-B] PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2018-08-23 — — WO 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 ALDH1A1 417/4885CYP1A2 25/4885CYP2C9 572/4885

“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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