SCHEMBL7537463

SCHEMBL7537463

COc1cccc(OC)c1-c1nc(C)c(N)c(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 7/20 0.57
▸ HSP90AA1 P07900 3/20 0.41
▸ HSP90AB1 P08238 2/20 0.41
▸ MCHR1 Q99705 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ DCPS Q96C86 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.35

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
SCHEMBL7537725 0.71 CRHR1 (0.59) CRHR1ALDH1A1KDM4E
SCHEMBL18134204 0.67 CCNA2 (0.44) ALDH1A1NPSR1KDM4EHPGD
SCHEMBL11555941 0.67 PKM (0.34) KMT2AALDH1A1MEN1
SCHEMBL548076 0.66 CA1 (0.52) HSP90AA1HSP90AB1TDP1KMT2ACYP3A4
SCHEMBL358973 0.65 ALDH1A1 (0.59) MCHR1TDP1DCPSCYP3A4ALDH1A1
SCHEMBL1092368 0.65 TOP1 (0.52) HSP90AA1HSP90AB1TDP1KMT2ACYP3A4
SCHEMBL28148154 0.65 CA1 (0.65) TDP1KMT2ACYP3A4ALDH1A1ADRA2B
SCHEMBL7276398 0.64 ALDH1A1 (0.65) HSP90AA1HSP90AB1MCHR1TDP1KMT2A
SCHEMBL30816756 0.64 ALDH1A1 (0.65) HSP90AA1HSP90AB1MCHR1TDP1KMT2A
SCHEMBL14450999 0.64 CA1 (0.50) HSP90AA1HSP90AB1TDP1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233949-A2 5-SUBSTITUTED ARYLPYRIMIDINES NEUROGEN CORPORATION (US) 2002-08-28 — — EP disclosed
US-20020072521-A1 5-substituted arylpyrimidines NEUROGEN CORPORATION 2002-06-13 — — US disclosed
WO-2001068614-A2 5-SUBSTITUTED ARYLPYRIMIDINES NEUROGEN CORPORATION (US) 2001-09-20 — — 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-20020072521-A1 5-substituted arylpyrimidines HTR5A, CRHR1, HTR4 CRHR1 2/4885HSP90AA1 3611/4885HSP90AB1 3826/4885

“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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