SCHEMBL16183245

SCHEMBL16183245

c1ccc(-c2nc(N3CCc4ccccc43)c3ccccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.57
ABCG2 Q9UNQ0 3/20 0.55
GBA1 P04062 1/20 0.52
LMNA P02545 6/20 0.49
TSHR P16473 5/20 0.49
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ACHE P22303 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.47
CSNK2A1 P68400 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20154424 0.79 ALDH1A1 (0.51) LMNATSHRMAPK1ALDH1A1MEN1
SCHEMBL2583210 0.78 GBA1 (0.80) ACP1ABCG2GBA1LMNATSHR
SCHEMBL12134672 0.76 ABCB1 (0.66) ACP1LMNATSHRMAPK1ALDH1A1
SCHEMBL16183397 0.76 GBA1 (0.53) GBA1LMNATSHRMAPK1ALDH1A1
SCHEMBL16183308 0.76 GBA1 (0.53) GBA1LMNATSHRMAPK1ALDH1A1
SCHEMBL1085065 0.76 ABCG2 (0.88) ACP1ABCG2LMNATSHRMAPK1
SCHEMBL23576917 0.74 TUBB4A (0.69) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL30013860 0.74 TUBB4A (0.69) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL16183380 0.74 GBA1 (0.51) ABCG2GBA1LMNATSHRMAPK1
SCHEMBL31053036 0.74 TUBB4A (0.64) MEN1KMT2A

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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ACP1 109/4885ABCG2 1597/4885GBA1 1316/4885

“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.