SCHEMBL31023203

SCHEMBL31023203

c1cc2cc(CN3CCC4(CCOCC4)CC3)cnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.45
▸ CD274 Q9NZQ7 1/20 0.41
▸ MAP3K11 Q16584 3/20 0.41
▸ FLT3 P36888 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
▸ FGFR1 P11362 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ PIK3CA P42336 3/20 0.40
▸ FLT1 P17948 2/20 0.40
▸ FLT4 P35916 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ MARK3 P27448 1/20 0.40
▸ CLK2 P49760 1/20 0.40

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
SCHEMBL31023220 0.89 CHEK1 (0.46) FAAHCD274MAP3K11FLT3IKBKB
SCHEMBL299467 0.87 CD274 (0.51) CD274MAP3K11FLT3IKBKBCHUK
SCHEMBL7874310 0.81 FGFR1 (0.49) FAAHMAP3K11FLT3IKBKBCHUK
SCHEMBL7874293 0.77 MAP3K11 (0.61) MAP3K11FLT3IKBKBCHUKABL1
SCHEMBL298617 0.74 MAP3K11 (0.58) MAP3K11FLT3IKBKBCHUKABL1
SCHEMBL299250 0.73 CD274 (0.53) CD274MAP3K11FLT3IKBKBCHUK
SCHEMBL29178532 0.72 FGFR1 (0.50) MAP3K11FLT3IKBKBCHUKABL1
SCHEMBL14345090 0.69 ALDH1A1 (0.66) CYP2D6MEN1ALDH1A1CYP2C9TSHR
SCHEMBL298859 0.68 KDR (0.54) CD274FLT3FGFR1KDRPIK3CA
SCHEMBL18129777 0.68 CD274 (0.52) CD274FLT3FGFR1KDRPIK3CA

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 FAAH 2249/4885CD274 1791/4885MAP3K11 1309/4885

“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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