SCHEMBL6073897

SCHEMBL6073897

CCOC(=O)c1cc2cnc(SC)nc2nc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 6/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
RECQL P46063 1/20 0.49
HPGD P15428 3/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL20588812 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL21853653 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29546526 0.84 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL256224 0.84 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL6073963 0.82 KDM4E (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL20589650 0.78 MEN1 (0.48) ALDH1A1SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL423187 0.76 MEN1 (0.64) ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL29897636 0.76 MEN1 (0.64) ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL8397035 0.74 MEN1 (0.62) ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL14799238 0.74 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1

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-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 US disclosed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 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-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors CDK9, CDK19, CDK3 ALDH1A1 4111/4885SMN1; SMN2 3957/4885RAB9A 1460/4885

“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.