SCHEMBL2547432

SCHEMBL2547432

C=CCn1c[c]c2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
HPGD P15428 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4B Q07343 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
ADORA2B P29275 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6015666 0.76 PTGS2 (0.38) CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL6016000 0.75 CYP1A2 (0.33) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2548441 0.75 HTR1A (0.34) HTR1AHTR2CHPGDNPSR1NPC1
SCHEMBL2544770 0.73 MEN1 (0.35) HPGDCYP1A2CYP3A4CYP2C19NPSR1
SCHEMBL6015794 0.72 CNR2 (0.40)
SCHEMBL18227838 0.72 HTR6 (0.45) HTR2CCYP2C19SMN1; SMN2KDM4E
SCHEMBL326707 0.70 MTNR1A (0.48) HTR1AHTR2CCYP2C19ALDH1A1KDM4E
SCHEMBL8876041 0.70 KMT2A (0.48) HTR1AHTR2CHPGDNPC1RAB9A
SCHEMBL6016010 0.70 GSK3B (0.41) HTR1AHTR2CCYP1A2CYP2C19SMN1; SMN2
SCHEMBL6015686 0.70 USP2 (0.35) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 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 (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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 HTR1A 3549/4885HTR2C 3231/4885HPGD 2362/4885

“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.