SCHEMBL6094582

SCHEMBL6094582

NC(CO)Cc1cnccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34
MC3R P41968 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DAO P14920 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
VNN1 O95497 1/20 0.32
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CYP1A2 P05177 2/20 0.31

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
SCHEMBL20278973 1.00 HSP90AA1 (0.35) HSP90AA1BAZ2BADORA3TSHRMC4R
SCHEMBL6194021 1.00 HSP90AA1 (0.35) HSP90AA1BAZ2BADORA3TSHRMC4R
Hydrochloric Acid SCHEMBL6749428 0.98 HSP90AA1 (0.34) HSP90AA1BAZ2BADORA3TSHRMC4R
Hydrochloric Acid SCHEMBL6749426 0.98 HSP90AA1 (0.34) HSP90AA1BAZ2BADORA3TSHRMC4R
SCHEMBL19214801 0.81 HSP90AA1 (0.35) HSP90AA1BAZ2BADORA3TSHRMC4R
SCHEMBL8351773 0.80 HSP90AA1 (0.38) HSP90AA1BAZ2BADORA3TSHRMC4R
SCHEMBL28322787 0.78 DAO (0.38) HSP90AA1BAZ2BADORA3TSHRMC4R
SCHEMBL6965886 0.77 POLB (0.37) HSP90AA1BAZ2BADORA3TSHRMC4R
SCHEMBL8105929 0.77 POLB (0.37) HSP90AA1BAZ2BADORA3TSHRMC4R
SCHEMBL6966444 0.77 POLB (0.37) HSP90AA1BAZ2BADORA3TSHRMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005430-B2 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-28 US disclosed
EP-1299365-B1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
EP-1251130-B1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2005-02-16 EP disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 US disclosed
EP-1251130-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-10-23 EP 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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 HSP90AA1 4646/4885BAZ2B 1519/4885ADORA3 192/4885

“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.