SCHEMBL10126430

SCHEMBL10126430

Cc1nc(C)c(C(N)=O)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 4/20 0.36
NNMT P40261 1/20 0.35
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL13780200 0.86 KDM4E (0.40) POLBALDH1A1NPSR1MAPTKMT2A
SCHEMBL31517757 0.82 POLB (0.45) POLBALDH1A1KMT2ANNMTHSD17B10
SCHEMBL13780203 0.81 POLB (0.34) POLBALDH1A1NPSR1MAPTKMT2A
SCHEMBL13780204 0.81 POLB (0.53) POLBALDH1A1NPSR1MAPTKMT2A
SCHEMBL29868008 0.77 POLB (0.42) POLBALDH1A1NPSR1MAPTKMT2A
SCHEMBL13826175 0.77 POLB (0.42) POLBALDH1A1KMT2ANNMTKDM4E
SCHEMBL5514920 0.76 ALDH1A1 (0.41) ALDH1A1NPSR1MAPTKMT2AHSD17B10
SCHEMBL8828513 0.75 KMT2A (0.49) POLBALDH1A1KMT2ANNMTHSD17B10
SCHEMBL1831305 0.73 EGLN1 (0.37) POLBALDH1A1NPSR1MAPTKMT2A
SCHEMBL18704234 0.73 PDPK1 (0.43) POLBALDH1A1KMT2AHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL POLB 4540/4885ALDH1A1 1981/4885NPSR1 687/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 POLB 4590/4885ALDH1A1 1554/4885NPSR1 4662/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL POLB 4540/4885ALDH1A1 1981/4885NPSR1 687/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 POLB 4437/4885ALDH1A1 2168/4885NPSR1 772/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 POLB 4590/4885ALDH1A1 1554/4885NPSR1 4662/4885

“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.