SCHEMBL26075698

SCHEMBL26075698

CNc1ccc(-c2ccc(-c3cc(C)c4cc(C(F)(F)F)ccc4n3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.47
▸ LCK P06239 3/20 0.41
▸ KDR P35968 3/20 0.41
▸ MAPK14 Q16539 3/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ NPBWR1 P48145 3/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ APP P05067 3/20 0.37
▸ DGAT1 O75907 2/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GAK O14976 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ HTR2B P41595 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
SCHEMBL26075701 0.88 MCHR1 (0.40) LCKKDRMAPK14MCHR1DHODH
SCHEMBL26075695 0.85 KDM1A (0.47) MCHR1DHODHNPBWR1APPDGAT1
SCHEMBL23590040 0.85 DHODH (0.46) KIF11DHODH
SCHEMBL26075691 0.84 ACP1 (0.42) DHODHNPBWR1ACP1DGAT1KCNH2
SCHEMBL26075688 0.83 ACP1 (0.37) KDRMCHR1DHODHNPBWR1ACP1
SCHEMBL26075703 0.81 CBFB (0.43) MCHR1DHODHNPBWR1ACP1APP
SCHEMBL26075424 0.79 KIF11 (0.43) KIF11LCKKDRMAPK14MCHR1
SCHEMBL26075693 0.76 DGAT1 (0.42) MCHR1DGAT1HTR2B
SCHEMBL26075568 0.75 APP (0.49) DHODHACP1APP
SCHEMBL26075604 0.75 KIF11 (0.50) KIF11MCHR1DHODHACP1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT OHIO STATE INNOVATION FOUNDATION (US) 2023-09-28 — — 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 (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-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT DHODH, CD38, DPYD KIF11 3743/4885LCK 4275/4885KDR 3444/4885

“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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