SCHEMBL3702007

SCHEMBL3702007

CN(C)CCN(Cc1ccccc1)Cc1cccc(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.56
▸ DYRK1A Q13627 5/20 0.56
▸ CLK4 Q9HAZ1 4/20 0.56
▸ CDK5 Q00535 4/20 0.56
▸ CLK2 P49760 3/20 0.56
▸ DYRK3 O43781 2/20 0.56
▸ CLK1 P49759 1/20 0.56
▸ CLK3 P49761 1/20 0.56
▸ CDK5R1 Q15078 1/20 0.56
▸ DYRK2 Q92630 1/20 0.56
▸ DYRK1B Q9Y463 1/20 0.56
▸ ROCK2 O75116 8/20 0.51
▸ ROCK1 Q13464 7/20 0.51
▸ CDK2 P24941 6/20 0.48
▸ PRKACA P17612 5/20 0.48
▸ CDC7 O00311 4/20 0.48
▸ MKNK2 Q9HBH9 3/20 0.48
▸ PIM1 P11309 2/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ HIPK2 Q9H2X6 1/20 0.48

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
Hydrochloric Acid SCHEMBL3698007 0.99 GSK3B (0.54) GSK3BDYRK1ACLK4CDK5CLK2
SCHEMBL3698927 0.81 NPC1 (0.54) CALM1CAMKK2SLC6A2SLC6A4SLC6A3
SCHEMBL13604781 0.80 EGFR (0.50) GSK3BDYRK1ACLK4CDK5CLK2
SCHEMBL3698061 0.80 CALM1 (0.47) ROCK2ROCK1PRKACACALM1CAMKK2
Hydrochloric Acid SCHEMBL3701265 0.79 CALM1 (0.46) ROCK2ROCK1PRKACACALM1CAMKK2
SCHEMBL3707288 0.77 CALM1 (0.47) ROCK2CALM1CAMKK2SLC6A2SLC6A4
Acetic Acid SCHEMBL3704776 0.77 FDPS (0.48) GSK3BDYRK1ACLK4CDK5CLK2
SCHEMBL3702044 0.77 CALM1 (0.49) DYRK1ACALM1CAMKK2
Hydrochloric Acid SCHEMBL3695870 0.76 CALM1 (0.46) ROCK2CALM1CAMKK2SLC6A2SLC6A4
SCHEMBL27713721 0.76 CALM1 (0.51) CALM1CAMKK2

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 6 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 claimed
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-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
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C GSK3B 1534/4885DYRK1A 773/4885CLK4 3377/4885

“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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