SCHEMBL3696181

SCHEMBL3696181

CN(C)CCNCc1cncc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 2/20 0.47
▸ PIP4K2B P78356 2/20 0.47
▸ FYN P06241 1/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ DYRK1A Q13627 5/20 0.43
▸ CLK2 P49760 3/20 0.43
▸ CLK3 P49761 3/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ WNT1 P04628 2/20 0.42
▸ MAP3K11 Q16584 2/20 0.40
▸ VSIR Q9H7M9 1/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CLK1 P49759 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL3701778 0.77 EGFR (0.43) FYNCYP17A1CYP11B1CYP11B2CDK1
SCHEMBL3699988 0.72 ROCK1 (0.42) PIP4K2APIP4K2BCYP17A1CYP11B1CYP11B2
SCHEMBL13354456 0.70 PIP4K2A (0.58) PIP4K2APIP4K2BFYNCYP17A1CYP11B1
SCHEMBL16269418 0.70 CHRNB2 (0.46) KDRBRAFVSIR
SCHEMBL15858028 0.68 BRAF (0.50) KDRBRAF
Trifluoroacetic Acid SCHEMBL3698032 0.68 HTR5A (0.41) PIP4K2APIP4K2BDYRK1AKDRNPC1
SCHEMBL3348627 0.68 PIP4K2A (0.54) PIP4K2APIP4K2BFYNCYP17A1CYP11B1
SCHEMBL31317869 0.67 CYP11B1 (0.63) PIP4K2APIP4K2BFYNCYP17A1CYP11B1
SCHEMBL3708145 0.67 CYP2A6 (0.57) PIP4K2APIP4K2BFYNCYP17A1CYP11B1
SCHEMBL13322392 0.67 PIP4K2A (0.54) PIP4K2APIP4K2BFYNCYP17A1CYP11B1

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 PIP4K2A 2895/4885PIP4K2B 3012/4885FYN 3206/4885

“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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