SCHEMBL566964

SCHEMBL566964

C[Si](C)(C)CCOCn1ccc2c(N)c(C#N)cnc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DGAT1 O75907 1/20 0.34
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM1A O60341 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
ABL1 P00519 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL29622593 0.86 KDM4E (0.34) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL565470 0.86 KDM4E (0.34) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL101482 0.84 DGAT1 (0.33) KDM4EALDH1A1DGAT1KDM1ANPC1
SCHEMBL22620183 0.82 DGAT1 (0.40) DGAT1NPC1MAPT
SCHEMBL2395822 0.80 KDM1A (0.35) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL10099308 0.79 DGAT1 (0.34) DGAT1NPC1MAPT
SCHEMBL18975742 0.79 KDM1A (0.35) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL2884544 0.78 DGAT1 (0.35) DGAT1NPC1MAPTKDR
SCHEMBL30877329 0.78 DGAT1 (0.39) ALDH1A1KMT2ADGAT1LMNAMAPT
SCHEMBL566551 0.77 LMNA (0.40) KDM4EALDH1A1HPGDKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420502-A1 FUSED PYRROLOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-02-22 EP disclosed
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 KDM4E 2680/4885ALDH1A1 2641/4885HPGD 599/4885

“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.