SCHEMBL4158301

SCHEMBL4158301

C[C@@H](Nc1ncnc2cc(C(=O)N3CCC[C@H]3CO)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRCP P42785 1/20 0.34
HSD11B1 P28845 1/20 0.34
PREP P48147 1/20 0.34
ADORA2B P29275 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
USP1 O94782 1/20 0.34
HCRTR2 O43614 2/20 0.34
GRM5 P41594 1/20 0.34
HCRTR1 O43613 1/20 0.34
SPHK1 Q9NYA1 2/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
EGFR P00533 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
SCHEMBL13772349 1.00 SOS1 (0.37) SOS1RAB9AKDM4EALDH1A1LMNA
SCHEMBL4158303 1.00 SOS1 (0.37) SOS1RAB9AKDM4EALDH1A1LMNA
SCHEMBL8321571 1.00 SOS1 (0.37) SOS1RAB9AKDM4EALDH1A1LMNA
SCHEMBL4148971 1.00 SOS1 (0.37) SOS1RAB9AKDM4EALDH1A1LMNA
SCHEMBL4148970 1.00 SOS1 (0.37) SOS1RAB9AKDM4EALDH1A1LMNA
SCHEMBL3000818 0.94 SOS1 (0.37) SOS1KDM4EALDH1A1LMNAHSD17B10
SCHEMBL4156704 0.94 SOS1 (0.37) SOS1KDM4EALDH1A1LMNAHSD17B10
SCHEMBL3004192 0.94 SOS1 (0.37) SOS1KDM4EALDH1A1LMNAHSD17B10
SCHEMBL3002850 0.92 HRH3 (0.43) SOS1KDM4EALDH1A1LMNAHSD17B10
SCHEMBL8324279 0.92 EGFR (0.36) SOS1KDM4EALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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

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 773/4885RAB9A 1983/4885KDM4E 4499/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SOS1 1153/4885RAB9A 1969/4885KDM4E 4456/4885

“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.