SCHEMBL22116185

SCHEMBL22116185

O/N=C/c1cc(Cl)nnc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2C9 P11712 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 1/20 0.41
P2RY1 P47900 7/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
F10 P00742 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL22116186 1.00 ADORA2A (0.44) ADORA2ACYP1A2CYP2C19L3MBTL1CYP2C9
SCHEMBL22116067 0.84 ALDH1A1 (0.49) ADORA2ACYP1A2CYP2C19L3MBTL1CYP2C9
SCHEMBL2050554 0.80 ADORA2A (0.49) ADORA2ACYP1A2CYP2C19L3MBTL1CYP2C9
SCHEMBL28631132 0.76 ADORA2A (0.48) ADORA2ACYP1A2CYP2C19L3MBTL1CYP2C9
SCHEMBL22116189 0.74 CYP1A2 (0.55) ADORA2ACYP1A2CYP2C19L3MBTL1CYP2C9
SCHEMBL22116024 0.73 F10 (0.45) ADORA2ACYP1A2CYP2C19L3MBTL1CYP2C9
SCHEMBL21994813 0.73 MAPT (0.55) ADORA2ACYP1A2CYP2C19CYP2C9NPSR1
SCHEMBL9218480 0.72 GCGR (0.51) L3MBTL1RAB9AALDH1A1POLBKDM4E
SCHEMBL9218471 0.72 GCGR (0.51) L3MBTL1RAB9AALDH1A1POLBKDM4E
SCHEMBL28633268 0.71 KDM4E (0.56) ADORA2ACYP1A2CYP2C19CYP2C9P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137083-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2026-05-21 US disclosed
US-12501900-B2 Heterocyclyl pyridazine as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
US-20240016152-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2024-01-18 US disclosed
EP-4167740-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-26 EP disclosed
US-20230064576-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
WO-2021255070-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2021-12-23 WO disclosed
EP-3898620-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
WO-2020127780-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 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 (4 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-20240016152-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX ADORA2A 4031/4885CYP1A2 38/4885CYP2C19 252/4885
US-20230064576-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS PNPO, PDXK, BLVRB ADORA2A 3341/4885CYP1A2 43/4885CYP2C19 235/4885
US-12501900-B2 Heterocyclyl pyridazine as fungicidal compounds PNPO, PDXK, BLVRB ADORA2A 3341/4885CYP1A2 43/4885CYP2C19 235/4885
US-20260137083-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS CBR1, CBR3, CYC1 ADORA2A 1784/4885CYP1A2 44/4885CYP2C19 714/4885

“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.