SCHEMBL16183305

SCHEMBL16183305

Clc1nc(-c2cccnc2)nc2ccc(I)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.49
PDE5A O76074 5/20 0.48
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 5/20 0.46
ALDH1A1 P00352 5/20 0.46
CLK4 Q9HAZ1 4/20 0.46
TSHR P16473 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
USP2 O75604 2/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL2154602 0.86 PDE5A (0.62) PDE5AKMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL14726166 0.86 PDE5A (0.50) PDE5AKMT2ACYP1A2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL7280013 0.84 PDE5A (0.63) PDE5AKMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL2154688 0.83 GBA1 (0.49) GBA1PDE5AKMT2ACYP1A2CYP3A4
SCHEMBL16183927 0.83 PDE5A (0.60) GBA1PDE5AKMT2ACYP1A2CYP3A4
SCHEMBL14726233 0.83 PDE5A (0.60) GBA1PDE5AKMT2ACYP1A2CYP3A4
SCHEMBL15966763 0.83 CYP3A4 (0.57) GBA1PDE5AKMT2ACYP1A2CYP3A4
SCHEMBL16183310 0.83 KMT2A (0.52) GBA1PDE5AKMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7280690 0.82 PDE5A (0.61) GBA1PDE5AKMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7280022 0.82 PDE5A (0.52) GBA1PDE5AKMT2ACYP1A2CYP3A4

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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
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 GBA1 1316/4885PDE5A 704/4885KMT2A 800/4885

“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.