SCHEMBL20140201

SCHEMBL20140201

Cc1ncc(Cn2nc(C#N)c3cccc(Cl)c32)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
TSHR P16473 1/20 0.34
PSMB8 P28062 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
PIK3CD O00329 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
ELANE P08246 1/20 0.32
KLKB1 P03952 1/20 0.32
P2RX7 Q99572 1/20 0.32
TRPA1 O75762 1/20 0.32
BCAT1 P54687 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
SCHEMBL20140445 0.80 ELANE (0.41) KDM4EALDH1A1POLBTSHRL3MBTL1
SCHEMBL20139756 0.78 L3MBTL1 (0.51) L3MBTL1ELANE
SCHEMBL20140443 0.76 ENPP2 (0.38) POLBGRIN1GRIN2BTSHRSLC22A12
SCHEMBL21787192 0.74 ESR1 (0.46) ESR1ALDH1A1GRIN1GRIN2BSLC22A12
SCHEMBL20139770 0.71 PDE5A (0.37) GRIN1GRIN2B
SCHEMBL20140478 0.70 ELANE (0.35) GRIN1GRIN2BTSHRSLC22A12L3MBTL1
SCHEMBL23161955 0.70 KCNK13 (0.37) GRIN1GRIN2BBCAT1
SCHEMBL20140442 0.69 ESR1 (0.41) ESR1GRIN1GRIN2B
SCHEMBL20534564 0.68 KCNK13 (0.36) ESR1KDM4EALDH1A1TSHRLMNA
SCHEMBL20140381 0.66 ELANE (0.56) POLBL3MBTL1ELANE

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 ESR1 4348/4885KDM4E 3627/4885ALDH1A1 2298/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A ESR1 4345/4885KDM4E 3552/4885ALDH1A1 2355/4885
US-12435080-B2 sGC stimulators GUCY1A2, PRKG1, PDE2A ESR1 4345/4885KDM4E 3552/4885ALDH1A1 2355/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A ESR1 4348/4885KDM4E 3627/4885ALDH1A1 2298/4885

“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.