SCHEMBL20476058

SCHEMBL20476058

Nc1cnc(N2CC3CC(C2)O3)nc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 11/20 0.38
▸ PIK3CA P42336 9/20 0.38
▸ MAP3K12 Q12852 3/20 0.35
▸ RICTOR Q6R327 1/20 0.34
▸ RPTOR Q8N122 1/20 0.34
▸ MAPKAP1 Q9BPZ7 1/20 0.34
▸ MLST8 Q9BVC4 1/20 0.34
▸ MAP3K13 O43283 1/20 0.34
▸ OGA O60502 1/20 0.33
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ KDM1A O60341 2/20 0.31
▸ SOS1 Q07889 1/20 0.30

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
SCHEMBL29209039 0.79 MTOR (0.47) MTORPIK3CAMAP3K12PIK3CBPIK3CG
SCHEMBL20476215 0.77 GRIN2D (0.45) MTORPIK3CAMAP3K12OGASOS1
SCHEMBL18128074 0.77 MTOR (0.31) MTORPIK3CA
SCHEMBL24757838 0.76 MAP3K12 (0.35) MAP3K12OGA
SCHEMBL15058900 0.76 AOC3 (0.38) OGA
SCHEMBL20476237 0.74 ALDH1A1 (0.40) —
SCHEMBL31177641 0.72 MAP3K12 (0.34) MTORPIK3CAMAP3K12OGA
SCHEMBL25147416 0.72 MTOR (0.40) MTORPIK3CAMAP3K12RICTORRPTOR
SCHEMBL25147414 0.72 MTOR (0.40) MTORPIK3CAMAP3K12RICTORRPTOR
SCHEMBL15725788 0.72 PTPN11 (0.49) OGA

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 MTOR 2667/4885PIK3CA 2990/4885MAP3K12 2280/4885

“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.

Send feedback