SCHEMBL7069807

SCHEMBL7069807

COCCNC(=O)c1ccc2nc(C(C)c3nc4cc(-n5ccnc5)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 2/20 0.39
F9 P00740 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
DRD3 P35462 5/20 0.38
DRD2 P14416 4/20 0.38
LMNA P02545 1/20 0.38
ACSS2 Q9NR19 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTT P42858 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
SCHEMBL7068172 0.93 ACSS2 (0.41) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL7074547 0.92 HTT (0.40) HPGDKMT2AF9MEN1ADRB2
SCHEMBL7073168 0.92 NPC1 (0.41) MAPK1F9ADRB2ADRB1ADRB3
SCHEMBL7068233 0.91 DRD2 (0.43) HPGDADRB2ADRB1ADRB3DRD3
SCHEMBL7067809 0.91 F9 (0.38) F9ACSS2TDP1HTT
SCHEMBL7070332 0.89 DRD2 (0.38) HPGDF9ADRB2ADRB1ADRB3
SCHEMBL7071895 0.89 DRD3 (0.38) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL7072267 0.88 F9 (0.37) F9ADRB2ADRB1ADRB3DRD3
SCHEMBL7073823 0.87 DRD3 (0.37) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL7069733 0.87 DRD2 (0.37) HPGDCYP1A2CYP2C9MAPK1CYP2C19

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
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 HPGD 1524/4885CYP1A2 1437/4885CYP2C9 966/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 HPGD 591/4885CYP1A2 440/4885CYP2C9 400/4885

“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.