SCHEMBL4513652

SCHEMBL4513652

O=c1[nH]c(C2CN(c3nc(-c4ccccc4)cs3)C2)nc2c1cnn2-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.50
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
PDE5A O76074 3/20 0.43
TP53 P04637 2/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
AR P10275 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
DPP4 P27487 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40

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
SCHEMBL4524313 0.88 TYK2 (0.45) TYK2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL4513768 0.85 TYK2 (0.53) TYK2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL4510262 0.84 PDE9A (0.51)
SCHEMBL4591180 0.84 TYK2 (0.62) TYK2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL4497280 0.81 TYK2 (0.50) TYK2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL4501740 0.79 ALDH1A1 (0.52) TYK2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL4510202 0.77 TYK2 (0.58) TYK2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL4498181 0.77 TYK2 (0.56) TYK2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL4512357 0.76 KMT2A (0.53) TYK2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL4510623 0.76 TYK2 (0.55) TYK2ALDH1A1TSHRHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 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 (5 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-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A TYK2 4707/4885ALDH1A1 1873/4885TSHR 3757/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A TYK2 4749/4885ALDH1A1 1254/4885TSHR 3845/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B TYK2 3816/4885ALDH1A1 240/4885TSHR 4657/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A TYK2 4707/4885ALDH1A1 1873/4885TSHR 3757/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A TYK2 4759/4885ALDH1A1 1336/4885TSHR 3893/4885

“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.