SCHEMBL2548441

SCHEMBL2548441

C=CCn1c[c]c2ncccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.34
HTR2C P28335 2/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
PDE4B Q07343 2/20 0.34
PDE4D Q08499 1/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
NPC1 O15118 2/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 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
SCHEMBL2547432 0.75 HTR1A (0.34) HTR1AHTR2CKDM4ELMNAALDH1A1
SCHEMBL2544770 0.74 MEN1 (0.35) KDM4ELMNAALDH1A1HPGDPDE4B
SCHEMBL9598366 0.73 ADORA2B (0.37) KDM4ELMNAALDH1A1HPGDPDE4B
SCHEMBL8875192 0.71 LTA4H (0.45) HTR1AHTR2CKDM4ELMNAALDH1A1
SCHEMBL2551017 0.69 SLC2A1 (0.31) KDM4ELMNAPOLB
SCHEMBL2543891 0.69 KDM4E (0.31) KDM4ELMNAPOLB
SCHEMBL5434524 0.67 KMT2A (0.33) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL8876041 0.64 KMT2A (0.48) HTR1AHTR2CKDM4EALDH1A1HPGD
SCHEMBL326707 0.64 MTNR1A (0.48) HTR1AHTR2CKDM4EALDH1A1PKM
SCHEMBL326813 0.63 TDP1 (0.63) LMNATDP1NPSR1PKM

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 3231/4885KDM4E 2266/4885

“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.