SCHEMBL31023220

SCHEMBL31023220

c1cc2cc(CN3CCC4(CC3)COC4)cnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ FAAH O00519 3/20 0.43
▸ MAP3K11 Q16584 3/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ FGFR1 P11362 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ SYK P43405 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38

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
SCHEMBL31023203 0.89 FAAH (0.45) CHEK1ACHEFAAHMAP3K11FLT3
SCHEMBL299467 0.83 CD274 (0.51) CHEK1ACHEMAP3K11FLT3FGFR1
SCHEMBL7874310 0.82 FGFR1 (0.49) FAAHMAP3K11FLT3FGFR1KDR
SCHEMBL7874293 0.78 MAP3K11 (0.61) MAP3K11FLT3FGFR1KDRIKBKB
SCHEMBL298617 0.75 MAP3K11 (0.58) MAP3K11FLT3FGFR1KDRIKBKB
SCHEMBL29178532 0.73 FGFR1 (0.50) MAP3K11FLT3FGFR1KDRIKBKB
SCHEMBL20503980 0.70 OPRM1 (0.40) MAP3K11FLT3FGFR1KDRJAK2
SCHEMBL299250 0.69 CD274 (0.53) MAP3K11FLT3FGFR1KDRIKBKB
SCHEMBL20203524 0.68 CHEK1 (0.41) CHEK1ACHEJAK2SYKCYP2D6
SCHEMBL18123312 0.68 ALDH1A1 (0.63) CYP2D6

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-20240246966-A1 NEW PYRAZOLO[1,5-a] PYRIMIDINE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2024-07-25 — — 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-20240246966-A1 NEW PYRAZOLO[1,5-a] PYRIMIDINE DERIVATIVES AS SIGMA LIGANDS SIGMAR1, TMEM97, P2RX5 CHEK1 3525/4885ACHE 2947/4885FAAH 2249/4885

“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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