SCHEMBL20140443

SCHEMBL20140443

Cc1ncc(Cn2nc(C#N)c3ccc(Cl)cc32)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
KMO O15229 1/20 0.38
SLC22A12 Q96S37 4/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
LMNA P02545 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
MAOA P21397 1/20 0.35
POLB P06746 1/20 0.35
GRM2 Q14416 1/20 0.34
TRPA1 O75762 2/20 0.33
MCL1 Q07820 1/20 0.33
CYP19A1 P11511 1/20 0.32
PKM P14618 1/20 0.32
PKLR P30613 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL20139770 0.85 PDE5A (0.37) GRIN1GRIN2BPKMPKLR
SCHEMBL20161329 0.85 ENPP2 (0.39) ENPP2GRIN1GRIN2BKMOSLC22A12
SCHEMBL20140445 0.82 ELANE (0.41) POLBTSHR
SCHEMBL20140201 0.76 ESR1 (0.42) GRIN1GRIN2BSLC22A12LMNAPOLB
SCHEMBL24205854 0.74 PDE5A (0.37) GRIN1GRIN2BKMOSLC22A12LMNA
SCHEMBL15117027 0.73 PDE5A (0.50) PKMPKLRTSHR
SCHEMBL15112642 0.73 PDE5A (0.52) ENPP2CYP11B1CYP11B2MAOAGRM2
SCHEMBL17876771 0.73 TSHR (0.43) MCL1TDP1TSHR
SCHEMBL20140478 0.72 ELANE (0.35) GRIN1GRIN2BSLC22A12CYP11B1GRM2
SCHEMBL20139756 0.72 L3MBTL1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435080-B2 sGC stimulators TISENTO THERAPEUTICS INC. (US) 2025-10-07 US disclosed
US-20220017515-A1 sGC STIMULATORS TISENTO THERAPEUTICS INC. 2022-01-20 US disclosed
US-11180493-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 US disclosed
EP-3538520-A2 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2019-09-18 EP disclosed
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO 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 (4 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-20200071318-A1 SGC STIMULATORS GUCY1A2, GMPS, PDE2A ENPP2 443/4885GRIN1 1566/4885GRIN2B 1470/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A ENPP2 436/4885GRIN1 1488/4885GRIN2B 1483/4885
US-12435080-B2 sGC stimulators GUCY1A2, PRKG1, PDE2A ENPP2 436/4885GRIN1 1488/4885GRIN2B 1483/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A ENPP2 443/4885GRIN1 1566/4885GRIN2B 1470/4885

“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.