SCHEMBL3077934

SCHEMBL3077934

Cc1nnc(-c2ccc(-c3cc4cc(C(C)(C)C)cc(-c5ccc[nH]c5=O)c4[nH]c3=O)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
UGCG Q16739 3/20 0.35
NR1I2 O75469 2/20 0.35
S1PR1 P21453 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MAPK14 Q16539 5/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
PARP1 P09874 1/20 0.34
CECR2 Q9BXF3 1/20 0.34
MAPT P10636 2/20 0.33
NPY5R Q15761 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GSK3B P49841 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
SCHEMBL1727256 0.82 TRPV1 (0.38) TRPV1NPC1RAB9AATMERAP1
SCHEMBL6446484 0.81 ALK (0.34) TRPV1NPC1RAB9AATMERAP1
SCHEMBL6444232 0.81 NPC1 (0.34) NPC1RAB9AATMERAP1KDM4E
SCHEMBL6445454 0.79 KMT2A (0.36) NPC1RAB9AATMERAP1MAPT
SCHEMBL2695946 0.78 CA1 (0.40) S1PR1ALDH1A1HPGD
SCHEMBL2691334 0.77 CYP3A4 (0.50) TRPV1MAPTKDM4EALDH1A1HPGD
SCHEMBL10090581 0.76 ALK (0.36) TRPV1NPC1RAB9AATMERAP1
SCHEMBL2695274 0.73 PDE4A (0.41) TRPV1
SCHEMBL2692666 0.71 CYP3A4 (0.45) NPC1RAB9ANPY5RGSK3B
SCHEMBL1727595 0.71 NPC1 (0.39) NPC1RAB9AATMERAP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 US claimed

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-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, IFNAR1, RRM2B GPR84 2387/4885UGCG 3906/4885NR1I2 226/4885

“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.