SCHEMBL4569977

SCHEMBL4569977

CNc1nc(C)nc(O)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.37
ADORA1 P30542 1/20 0.32
CYP1A2 P05177 1/20 0.30
PDE4A P27815 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL13295567 0.84 PDE4A (0.39) HSD17B10ADORA1CYP1A2PDE4ACYP2C19
SCHEMBL2024856 0.84 HSD17B10 (0.35) HSD17B10ADORA1CYP1A2PDE4ACYP2C19
SCHEMBL10203906 0.81 HSD17B10 (0.45) HSD17B10ALDH1A1CYP1A2PDE4ACYP2C19
SCHEMBL10060205 0.81 ALDH1A1 (0.47) HSD17B10ALDH1A1CYP1A2PDE4ACYP2C19
SCHEMBL1244575 0.74
SCHEMBL1244318 0.74
SCHEMBL12952552 0.73 ALDH1A1 (0.35) HSD17B10ALDH1A1ADORA1
SCHEMBL1968927 0.70 HSP90AB1 (0.43) HSD17B10ALDH1A1
SCHEMBL2678562 0.70 PDE4A (0.54) HSD17B10ALDH1A1CYP1A2PDE4ACYP2C19
SCHEMBL21430614 0.70 HSD17B10 (0.39) HSD17B10ALDH1A1CYP1A2PDE4ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221986-B2 Self-dispersing particles and methods for making and using the same SENSIENT COLORS LLC (US) 2015-12-29 US disclosed
US-9221986-B2 Self-dispersing particles and methods for making and using the same SENSIENT COLORS LLC (US) 2015-12-29 US disclosed
US-8226761-B2 Self-dispersed pigments and methods for making and using the same SENSIENT COLORS LLC (US) 2012-07-24 US disclosed
US-8226761-B2 Self-dispersed pigments and methods for making and using the same SENSIENT COLORS LLC (US) 2012-07-24 US disclosed
US-20120118205-A1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. 2012-05-17 US disclosed
US-20120118205-A1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. 2012-05-17 US disclosed
US-8118924-B2 Self-dispersed pigments and methods for making and using the same SENSIENT COLORS LLC (US) 2012-02-21 US disclosed
US-8118924-B2 Self-dispersed pigments and methods for making and using the same SENSIENT COLORS LLC (US) 2012-02-21 US disclosed
US-7964033-B2 Self-dispersed pigments and methods for making and using the same SENSIENT COLORS LLC (US) 2011-06-21 US disclosed
US-7964033-B2 Self-dispersed pigments and methods for making and using the same SENSIENT COLORS LLC (US) 2011-06-21 US disclosed
US-20100251932-A1 SELF-DISPERSING PARTICLES AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS LLC 2010-10-07 US disclosed
US-20100251932-A1 SELF-DISPERSING PARTICLES AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS LLC 2010-10-07 US disclosed
US-20090050014-A1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. (US) 2009-02-26 US disclosed
US-20090050014-A1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. (US) 2009-02-26 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-20100251932-A1 SELF-DISPERSING PARTICLES AND METHODS FOR MAKING AND USING THE SAME ZYX, NPM1, SPIN2B HSD17B10 4319/4885ALDH1A1 4412/4885ADORA1 1931/4885

“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.