SCHEMBL4512357

SCHEMBL4512357

O=c1[nH]c(C2CN(c3nc4ccccc4[nH]3)C2)nc2c1cnn2-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.53
TYK2 P29597 1/20 0.53
PDE10A Q9Y233 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PDE5A O76074 4/20 0.45
TP53 P04637 3/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.44
PAX8 Q06710 1/20 0.44
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL4591180 0.86 TYK2 (0.62) KMT2ALMNAMAPK1TYK2ALDH1A1
SCHEMBL4510882 0.83 PDE10A (0.44) KMT2ATYK2PDE10AALDH1A1MAPT
SCHEMBL4510022 0.82 PDE9A (0.53)
SCHEMBL4501740 0.81 ALDH1A1 (0.52) KMT2ALMNAMAPK1TYK2ALDH1A1
SCHEMBL4510202 0.79 TYK2 (0.58) KMT2AMAPK1TYK2ALDH1A1HPGD
SCHEMBL4498181 0.79 TYK2 (0.56) KMT2ALMNAMAPK1TYK2ALDH1A1
SCHEMBL4510623 0.78 TYK2 (0.55) KMT2ALMNAMAPK1TYK2ALDH1A1
Hydrochloric Acid SCHEMBL4511418 0.77 TYK2 (0.62) KMT2ALMNATYK2ALDH1A1MAPT
SCHEMBL17506173 0.77 TYK2 (0.57) KMT2AMAPK1TYK2ALDH1A1HPGD
SCHEMBL4513652 0.76 TYK2 (0.50) KMT2ATYK2ALDH1A1MAPTRAB9A

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-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
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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 (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 KMT2A 1265/4885LMNA 159/4885MAPK1 242/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A KMT2A 1042/4885LMNA 105/4885MAPK1 171/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B KMT2A 3190/4885LMNA 1062/4885MAPK1 1550/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A KMT2A 1265/4885LMNA 159/4885MAPK1 242/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A KMT2A 1328/4885LMNA 107/4885MAPK1 167/4885

“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.