SCHEMBL63355

SCHEMBL63355

CN(c1ccco1)c1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL4599284 0.73 PI4KA (0.32) PI4KAPI4K2BPI4K2API4KB
SCHEMBL17892682 0.72 PI4KA (0.35) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL63354 0.70 CDK1 (0.61) CYP1A2MAPK1ADORA2AADORA2B
SCHEMBL17901712 0.70 NSD2 (0.34) PI4KAPI4K2BPI4K2API4KB
SCHEMBL4599282 0.70 CCNB2 (0.36) MAPK1
SCHEMBL9705370 0.69 PI4KA (0.37) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6699970 0.69 PI4KA (0.59) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL62675 0.69 TSHR (0.36) CYP1A2MAPK1ADORA2AADORA2B
SCHEMBL13718046 0.68 FLT4 (0.35) PI4KAPI4K2BPI4K2API4KB
SCHEMBL8495356 0.65 CSF1R (0.36) CYP1A2ADORA2A

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-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 EP disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 US disclosed
US-7906496-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2011-03-15 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 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 (2 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-20090258887-A1 Novel Carboxylic Acid Derivatives AADAC, ALDH7A1, DDC CYP1A2 200/4885CYP2D6 470/4885MAPK1 4152/4885
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES AADAC, ALDH7A1, ALDH18A1 CYP1A2 160/4885CYP2D6 444/4885MAPK1 3967/4885

“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.