SCHEMBL15840692

SCHEMBL15840692

Cc1nc(Nc2nc(CSc3ccccn3)cc(=O)[nH]2)nc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.73
ALDH1A1 P00352 12/20 0.73
SMN1; SMN2 Q16637 6/20 0.70
LMNA P02545 4/20 0.70
PAX8 Q06710 1/20 0.70
EZH2 Q15910 2/20 0.64
KMT2A Q03164 5/20 0.61
HTT P42858 2/20 0.61
CYP1A2 P05177 1/20 0.61
ALPL P05186 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
XBP1 P17861 1/20 0.61
CYP2C19 P33261 1/20 0.61
STAT3 P40763 1/20 0.61
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CREBBP Q92793 3/20 0.56
USP2 O75604 1/20 0.56

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
SCHEMBL15840668 0.83 MAPT (1.00) MAPTALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL15840779 0.81 MAPT (0.70) MAPTALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL15840695 0.79 MAPT (0.74) MAPTALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL30960971 0.78 EZH2 (1.00) MAPTALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL15840731 0.75 MAPT (0.74) MAPTALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL15840708 0.71 MAPT (1.00) MAPTALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL15840767 0.71 MAPT (1.00) MAPTALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL15840766 0.71 MAPT (1.00) MAPTALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL15840788 0.71 MAPT (1.00) MAPTALDH1A1SMN1; SMN2LMNAPAX8
SCHEMBL2464550 0.70 CREBBP (0.75) MAPTALDH1A1SMN1; SMN2LMNAPAX8

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 MAPT 1076/4885ALDH1A1 4348/4885SMN1; SMN2 3999/4885

“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.