SCHEMBL18038843

SCHEMBL18038843

CCCC[Sn](CCCC)(CCCC)c1cn(C(C)C(=O)OCC)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
Hydrochloric Acid SCHEMBL25391410 0.94 NPSR1 (0.36) NPSR1CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL18038823 0.91 NPSR1 (0.34) NPSR1KDM4EALDH1A1NPC1GAA
SCHEMBL15266297 0.79 CCNB2 (0.31) —
SCHEMBL2962859 0.76 CYP1A2 (0.39) NPSR1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL31308733 0.75 — —
SCHEMBL18038824 0.74 CYP1A2 (0.40) NPSR1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL30606887 0.74 CYP1A2 (0.40) NPSR1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL18038754 0.71 KDM5B (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL31591386 0.69 ALDH1A1 (0.35) ALDH1A1GLARAB9A
SCHEMBL31591369 0.68 GPR119 (0.32) ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 — — EP disclosed
CN-107531668-B Therapeutic pyridazine compounds and uses thereof 基因泰克公司 2021-10-29 — — CN disclosed
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 — — US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
EP-3262036-A1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2018-01-03 — — EP disclosed
WO-2016138114-A1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-09-01 — — 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 (2 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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 NPSR1 3059/4885CYP1A2 4326/4885CYP2C9 4614/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 NPSR1 3059/4885CYP1A2 4326/4885CYP2C9 4614/4885

“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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