SCHEMBL22079488

SCHEMBL22079488

CC(=O)c1cccc2nn(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.40
BRD4 O60885 2/20 0.40
DRD2 P14416 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TNKS O95271 1/20 0.40
CREBBP Q92793 3/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SYK P43405 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
POLQ O75417 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL2011238 0.86 KDM4E (0.46) BRD4L3MBTL1TNKSCREBBPKDM4E
SCHEMBL28910011 0.85 KDM4E (0.44) DRD3BRD4L3MBTL1TNKSCREBBP
SCHEMBL22723833 0.85 SYK (0.44) L3MBTL1TNKSSYKKDM4EALDH1A1
Potassium Ion SCHEMBL23858799 0.83 TNKS (0.39) DRD3BRD4DRD2TNKSCREBBP
SCHEMBL19903055 0.82 TNKS (0.38) DRD3BRD4DRD2TNKSCREBBP
SCHEMBL543378 0.82 NR4A2 (0.45) BRD4TNKSKDM4EALDH1A1POLQ
SCHEMBL21353788 0.81 TNKS (0.44) DRD3DRD2TNKSSYKALDH1A1
SCHEMBL30969206 0.79 KEAP1 (0.43) KDM4EALDH1A1HPGD
SCHEMBL15808418 0.76 GAA (0.38) BRD4L3MBTL1TNKSCREBBPSYK
SCHEMBL21040577 0.75 TNKS (0.41) DRD3DRD2TNKSHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358910-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-07-15 US disclosed
CN-113166117-B Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际公司 2025-04-15 CN disclosed
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
EP-3891142-B1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-09-14 EP disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 US disclosed
EP-3744721-A1 CONDENSED CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISM Shionogi & Co., Ltd (JP) 2020-12-02 EP disclosed
WO-2020114949-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-11 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 (3 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 DRD3 4443/4885BRD4 1629/4885DRD2 3376/4885
US-12358910-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH DRD3 3184/4885BRD4 2218/4885DRD2 3642/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 DRD3 4443/4885BRD4 1629/4885DRD2 3376/4885

“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.