SCHEMBL9975882

SCHEMBL9975882

CCOOC/C=C/c1nc2nc(C)cc(C)n2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.50
RECQL P46063 2/20 0.47
KDM4E B2RXH2 4/20 0.46
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL10364870 0.83 PDE10A (0.56) PDE10ARECQLKDM4ECYP1A2ALDH1A1
SCHEMBL15865964 0.75 KDM4E (0.57) PDE10ARECQLKDM4ECYP1A2ALDH1A1
SCHEMBL1463574 0.70 RECQL (0.56) PDE10ARECQLKDM4ECYP1A2ALDH1A1
SCHEMBL9975827 0.70 ALDH1A1 (0.70) PDE10ARECQLKDM4ECYP1A2ALDH1A1
SCHEMBL16199688 0.69 RECQL (0.59) RECQLKDM4ECYP1A2ALDH1A1HTT
SCHEMBL15807121 0.67 RECQL (0.76) PDE10ARECQLKDM4ECYP1A2ALDH1A1
SCHEMBL16738138 0.67 PDE10A (1.00) PDE10ARECQLKDM4ECYP1A2ALDH1A1
SCHEMBL15607655 0.67 PDE10A (1.00) PDE10ARECQLKDM4ECYP1A2ALDH1A1
SCHEMBL15549335 0.66 PDE10A (0.63) PDE10ARECQLKDM4ECYP1A2ALDH1A1
SCHEMBL15549334 0.66 PDE10A (0.63) PDE10ARECQLKDM4ECYP1A2ALDH1A1

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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 WO 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E PDE10A 2932/4885RECQL 123/4885KDM4E 2970/4885

“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.