SCHEMBL4148485

SCHEMBL4148485

CN(c1nc2cc(Cl)ccc2[nH]1)c1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.41
HRH3 Q9Y5N1 3/20 0.41
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH1 P35367 1/20 0.36
CSF1R P07333 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
GSK3B P49841 1/20 0.35
ALPL P05186 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4839125 0.83 LMNA (0.40) HRH4HRH3KDM4EHRH1LMNA
SCHEMBL4841544 0.82 HRH4 (0.35) HRH4HRH3PTGS2KDM4EHSD17B10
SCHEMBL4841532 0.82 BACE1 (0.35) HRH4HRH3PTGS2GSK3BHPGD
SCHEMBL4841867 0.82 ABL1 (0.34) HRH4HRH3TP53GSK3BHPGD
SCHEMBL4841860 0.81 HRH4 (0.32) HRH4HRH3PTGS2GSK3BHPGD
SCHEMBL4844540 0.80 KMT2A (0.40) KDM4EHSD17B10TSHRGSK3B
SCHEMBL2995838 0.77 HRH4 (0.40) HRH4HRH3PTGS2KDM4EHSD17B10
SCHEMBL2995841 0.77 HRH4 (0.40) HRH4HRH3PTGS2KDM4EHSD17B10
SCHEMBL4148481 0.77 CDK1 (0.43) HRH4HRH3KDM4EHPGD
SCHEMBL4848519 0.77 TAAR1 (0.32) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 HRH4 877/4885HRH3 457/4885PTGS2 2373/4885

“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.