SCHEMBL4159995

SCHEMBL4159995

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.34
SOS1 Q07889 1/20 0.34
ACACB O00763 3/20 0.34
ACACA Q13085 3/20 0.34
EPHA2 P29317 1/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34
SLC22A12 Q96S37 6/20 0.33
CCRL2 O00421 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
EGFR P00533 1/20 0.32
AURKB Q96GD4 1/20 0.32
BTK Q06187 1/20 0.32
GRIN2B Q13224 1/20 0.32
ROCK2 O75116 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
PBK Q96KB5 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
SCHEMBL13772365 1.00 PRMT5 (0.34) PRMT5SOS1ACACBACACAEPHA2
SCHEMBL4150399 0.91 SLC22A12 (0.35) SOS1ACACBACACAEPHA2KDR
SCHEMBL4144542 0.91 SLC22A12 (0.35) SOS1ACACBACACAEPHA2KDR
SCHEMBL4149328 0.91 SLC22A12 (0.35) SOS1ACACBACACAEPHA2KDR
SCHEMBL13772366 0.89 SOS1 (0.36) SOS1SLC22A12SLC22A6EGFRBTK
SCHEMBL4162263 0.89 SOS1 (0.36) SOS1SLC22A12SLC22A6EGFRBTK
SCHEMBL4162268 0.89 SOS1 (0.36) SOS1SLC22A12SLC22A6EGFRBTK
SCHEMBL4144537 0.84 SLC22A12 (0.34) ACACBACACAEPHA2KDREPHB4
SCHEMBL13772295 0.84 SLC22A12 (0.34) ACACBACACAEPHA2KDREPHB4
SCHEMBL4153302 0.82 SLC22A12 (0.34) PRMT5ACACBACACAEPHA2KDR

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
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 PRMT5 1866/4885SOS1 773/4885ACACB 4313/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 PRMT5 2061/4885SOS1 1153/4885ACACB 4496/4885

“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.