SCHEMBL3694082

SCHEMBL3694082

Fc1ccc(-c2ccc3[nH]ccc3c2)cc1CNCCN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 5/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ FLT1 P17948 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ SGK1 O00141 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ IGF1R P08069 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
SCHEMBL3700423 0.79 MAP3K11 (0.45) MAP3K11LTA4HFLT1EGFRDPP7
SCHEMBL3703734 0.79 MAP3K11 (0.45) MAP3K11LTA4HFLT1EGFRDPP7
SCHEMBL3703584 0.78 DYRK1A (0.38) DPP7KCNH2WNT1DYRK1AMAP4K4
SCHEMBL3701778 0.78 EGFR (0.43) EGFRNPC1CDK1CYP17A1CYP11B1
SCHEMBL3695656 0.78 MAP3K11 (0.44) MAP3K11LTA4HFLT1EGFRDPP7
Hydrochloric Acid SCHEMBL3702436 0.78 DYRK1A (0.37) DPP7KCNH2WNT1DYRK1AMAP4K4
SCHEMBL3702756 0.75 MAP4K4 (0.45) MAP3K11LTA4HFLT1EGFRDPP7
SCHEMBL3700050 0.75 MTOR (0.41) MAP3K11FLT1NPC1SGK1IKBKB
SCHEMBL26454951 0.74 FLT1 (0.45) MAP3K11LTA4HFLT1EGFRSGK1
SCHEMBL3696976 0.73 LTA4H (0.43) MAP3K11LTA4HFLT1EGFRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
EP-1851199-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-11-07 — — EP disclosed
WO-2006086705-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 — — 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 (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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C MAP3K11 4472/4885LTA4H 694/4885FLT1 4191/4885

“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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