SCHEMBL4144853

SCHEMBL4144853

C[C@@H](Nc1ncnc2cc(C(=O)N3CCCC[C@@H]3CCCN(C)C)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
GRM5 P41594 3/20 0.34
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 2/20 0.34
EGFR P00533 5/20 0.33
SOS1 Q07889 1/20 0.33
PYGL P06737 1/20 0.33
GRK2 P25098 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
PRCP P42785 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ERBB2 P04626 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 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
SCHEMBL13772351 1.00 SYK (0.35) SYKGRM5HSD11B1ALDH1A1EGFR
SCHEMBL4144857 1.00 SYK (0.35) SYKGRM5HSD11B1ALDH1A1EGFR
SCHEMBL4153567 0.96 SYK (0.39) SYKGRM5HSD11B1ALDH1A1EGFR
SCHEMBL13772341 0.96 SYK (0.39) SYKGRM5HSD11B1ALDH1A1EGFR
SCHEMBL4153565 0.96 SYK (0.39) SYKGRM5HSD11B1ALDH1A1EGFR
SCHEMBL4149705 0.92 HSD11B1 (0.34) GRM5HSD11B1ALDH1A1EGFRSOS1
SCHEMBL4149700 0.92 HSD11B1 (0.34) GRM5HSD11B1ALDH1A1EGFRSOS1
SCHEMBL8321068 0.92 HSD11B1 (0.34) GRM5HSD11B1ALDH1A1EGFRSOS1
SCHEMBL8320746 0.91 HSD11B1 (0.35) SYKGRM5HSD11B1ALDH1A1EGFR
SCHEMBL4157521 0.91 HSD11B1 (0.35) SYKGRM5HSD11B1ALDH1A1EGFR

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 SYK 2898/4885GRM5 2666/4885HSD11B1 509/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SYK 2867/4885GRM5 2849/4885HSD11B1 751/4885

“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.