SCHEMBL15840772

SCHEMBL15840772

Cc1ccnc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.67
TP53 P04637 3/20 0.64
MAPT P10636 10/20 0.61
GAA P10253 4/20 0.60
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 4/20 0.53
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.51
MAT2A P31153 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL15840764 0.89 ADORA1 (0.83) ADORA1TP53MAPTGAAALDH1A1
SCHEMBL15840693 0.80 ADORA1 (1.00) ADORA1TP53MAPTGAAALDH1A1
SCHEMBL15840683 0.76 TP53 (0.67) ADORA1TP53MAPTGAAALDH1A1
SCHEMBL11704650 0.75 MAPT (1.00) ADORA1TP53MAPTGAAALDH1A1
SCHEMBL3486780 0.75 MAPT (0.68) ADORA1TP53MAPTGAAALDH1A1
SCHEMBL3487204 0.72 MAPT (0.68) ADORA1TP53MAPTGAAALDH1A1
SCHEMBL15840839 0.71 ALDH1A1 (0.62) ADORA1TP53MAPTGAAALDH1A1
SCHEMBL7027700 0.71 MAPT (0.62) ADORA1TP53MAPTGAAALDH1A1
SCHEMBL11705840 0.71 POLB (0.74) ADORA1TP53MAPTGAAALDH1A1
SCHEMBL5218874 0.71 TP53 (0.77) ADORA1TP53MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 ADORA1 4330/4885TP53 230/4885MAPT 1076/4885

“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.