SCHEMBL14726166

SCHEMBL14726166

Clc1nc(-c2cccnc2)nc2ccc(-c3cccnc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.50
CLK4 Q9HAZ1 6/20 0.49
KMT2A Q03164 3/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49

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
SCHEMBL16183773 0.91 CYP1A2 (0.54) PDE5ACLK4KMT2ACYP1A2CYP3A4
SCHEMBL14358722 0.90 ABCG2 (0.55) PDE5ACLK4KMT2ACYP1A2CYP3A4
SCHEMBL2154602 0.88 PDE5A (0.62) PDE5ACLK4KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7280013 0.87 PDE5A (0.63) PDE5ACLK4KMT2ACYP1A2CYP3A4
SCHEMBL2155017 0.86 ABCG2 (0.56) CLK4KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL16183310 0.86 KMT2A (0.52) PDE5ACLK4KMT2ACYP1A2CYP3A4
SCHEMBL15966763 0.86 CYP3A4 (0.57) PDE5ACLK4KMT2ACYP1A2CYP3A4
SCHEMBL16183927 0.86 PDE5A (0.60) PDE5ACLK4KMT2ACYP1A2CYP3A4
SCHEMBL14726233 0.86 PDE5A (0.60) PDE5ACLK4KMT2ACYP1A2CYP3A4
SCHEMBL16183305 0.86 GBA1 (0.49) PDE5ACLK4KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 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 (3 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885CLK4 2170/4885KMT2A 1061/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885CLK4 1339/4885KMT2A 1377/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885CLK4 2170/4885KMT2A 1061/4885

“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.