SCHEMBL22952403

SCHEMBL22952403

Cn1nc(-c2ccncn2)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 1/20 0.38
▸ LATS2 Q9NRM7 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ GSK3B P49841 9/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ EGFR P00533 2/20 0.37
▸ FRK P42685 2/20 0.37
▸ MAPK9 P45984 2/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ GRM5 P41594 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ MAPK3 P27361 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ SLK Q9H2G2 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL22952439 0.79 KDM4E (0.47) F2MAPK1PDE10A
SCHEMBL15813913 0.78 HSP90AA1 (0.41) LATS1LATS2F2GSK3BMAP4K4
SCHEMBL22951402 0.78 — —
SCHEMBL21233318 0.78 GSK3B (0.40) LATS1LATS2F2GSK3BMAP4K4
SCHEMBL22951394 0.75 PIM1 (0.35) CYP2D6PDE10A
SCHEMBL21233324 0.73 F2 (0.33) F2CYP2D6HDAC1HDAC6
SCHEMBL22952404 0.71 PHGDH (0.34) —
SCHEMBL22952755 0.71 HTR2C (0.44) F2PDE10A
SCHEMBL21233121 0.70 PPARA (0.32) —
SCHEMBL22951307 0.70 HTR2C (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 — — US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 — — US 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 LATS1 4295/4885LATS2 3974/4885F2 4068/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 LATS1 3996/4885LATS2 3641/4885F2 2833/4885

“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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