SCHEMBL4162263

SCHEMBL4162263

C[C@@H](Nc1ncnc2cc(C(=O)N3CCC[C@H]3CN)c(Cl)cc12)c1nc2nc(Cl)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.36
GRIN2B Q13224 1/20 0.34
PRCP P42785 2/20 0.33
EGFR P00533 5/20 0.32
ERBB2 P04626 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
SLC22A12 Q96S37 3/20 0.32
DGAT2 Q96PD7 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BTK Q06187 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
FABP4 P15090 1/20 0.31

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
SCHEMBL13772366 1.00 SOS1 (0.36) SOS1GRIN2BPRCPEGFRERBB2
SCHEMBL4162268 1.00 SOS1 (0.36) SOS1GRIN2BPRCPEGFRERBB2
SCHEMBL3004192 0.89 SOS1 (0.37) SOS1PRCPEGFRSLC22A12KDM4E
SCHEMBL4156704 0.89 SOS1 (0.37) SOS1PRCPEGFRSLC22A12KDM4E
SCHEMBL3000818 0.89 SOS1 (0.37) SOS1PRCPEGFRSLC22A12KDM4E
SCHEMBL4159995 0.89 PRMT5 (0.34) SOS1GRIN2BEGFRSLC22A12SLC22A6
SCHEMBL13772365 0.89 PRMT5 (0.34) SOS1GRIN2BEGFRSLC22A12SLC22A6
SCHEMBL6226224 0.88 HCRTR1 (0.39) SOS1PRCPEGFRSLC22A12KDM4E
SCHEMBL4143885 0.87 HSD11B1 (0.37) SOS1PRCPEGFRERBB2TLR9
SCHEMBL8321495 0.87 HSD11B1 (0.37) SOS1PRCPEGFRERBB2TLR9

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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US claimed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 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 (2 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 SOS1 773/4885GRIN2B 1370/4885PRCP 1507/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SOS1 1153/4885GRIN2B 906/4885PRCP 1958/4885

“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.