SCHEMBL1356795

SCHEMBL1356795

C[Si](C)(C)CCOCn1c(-c2ccc(CN3CCCC3)cc2)cc2c(Cl)c(Cl)cnc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 3/20 0.36
HRH3 Q9Y5N1 4/20 0.35
HRH4 Q9H3N8 1/20 0.35
DCTPP1 Q9H773 2/20 0.35
S1PR1 P21453 1/20 0.35
CHEK1 O14757 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACHE P22303 1/20 0.33
CYP3A4 P08684 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
SCHEMBL1354651 0.84 PDE1B (0.34) PDE1BHRH3DCTPP1S1PR1CHEK1
SCHEMBL1354642 0.80 PDE1B (0.31) PDE1BCYP3A4
SCHEMBL1356777 0.80 AURKA (0.33)
SCHEMBL21484313 0.76 MEN1 (0.38) PDE1BCYP2C19
SCHEMBL30703117 0.76 HRH3 (0.36) PDE1BHRH3CYP2D6
SCHEMBL21484352 0.76 HRH3 (0.36) PDE1BHRH3CYP2D6
SCHEMBL17289652 0.74 MCHR1 (0.43) HRH3ACHE
SCHEMBL21484370 0.73 PIM1 (0.40)
SCHEMBL29538822 0.73 PIM1 (0.40)
SCHEMBL16967499 0.73 DGAT1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569316-B1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2014-04-23 EP disclosed
EP-2569316-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-03-20 EP disclosed
US-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
WO-2011143459-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 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 (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-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB PDE1B 1727/4885HRH3 1671/4885HRH4 1617/4885

“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.