SCHEMBL11364607

SCHEMBL11364607

Brc1cnc(N2CCN(c3ccncc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.52
MAPT P10636 4/20 0.50
LMNA P02545 1/20 0.50
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
RAB9A P51151 2/20 0.42
KMT2A Q03164 1/20 0.42
AOC3 Q16853 1/20 0.41
NPC1 O15118 1/20 0.41
SMO Q99835 1/20 0.40
PANK3 Q9H999 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LSS P48449 1/20 0.38

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
SCHEMBL12812533 0.82 CHKA (0.52) CHKAMAPTLMNAADRB2NCF1
SCHEMBL3440171 0.82 CHKA (0.52) CHKAMAPTLMNAADRB2NCF1
SCHEMBL7956825 0.79 AKR1C3 (0.54) CHKAMAPTLMNAADRB2NCF1
SCHEMBL11359955 0.79 MAPT (0.53) MAPTLMNARAB9AKMT2ANPC1
SCHEMBL14958762 0.78 CHKA (0.47) CHKAMAPTLMNAADRB2NCF1
SCHEMBL28112415 0.78 CHKA (0.80) CHKAMAPTLMNAADRB2NCF1
SCHEMBL3440200 0.76 POLB (0.53) CHKAMAPTLMNAKMT2AALDH1A1
SCHEMBL1433020 0.74 ALDH1A1 (0.47) MAPTSMOPANK3ALDH1A1TSHR
SCHEMBL3323407 0.74 KDM4E (0.43) MAPTSMOPANK3ALDH1A1TSHR
SCHEMBL10112395 0.73 ACHE (0.46) CHKAMAPTLMNAADRB2NCF1

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
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
EP-2479165-A1 GLYCINE COMPOUND Astellas Pharma Inc. (JP) 2012-07-25 EP disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 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 (1 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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB CHKA 4112/4885MAPT 783/4885LMNA 3055/4885

“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.