SCHEMBL1990165

SCHEMBL1990165

c1ccc2ncc(-c3cccc4c5c([nH]c34)C3CCN(CC3)C5)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
PRKCZ Q05513 1/20 0.38
HSP90AA1 P07900 6/20 0.38
PIK3CA P42336 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
BIRC5 O15392 1/20 0.35
CNR2 P34972 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
SCHEMBL1992941 0.77 HPGDS (0.45)
SCHEMBL27833818 0.72 PDGFRB (0.60) PDGFRBPDGFRATOP2ATOP2BBRD4
SCHEMBL1987185 0.71 SIGMAR1 (0.49) PDGFRBPDGFRAATRATRIPTOP2A
SCHEMBL1987279 0.70 SIGMAR1 (0.52) PDGFRBPDGFRABRD4CREBBPPIK3CA
SCHEMBL30547072 0.68 PDGFRB (0.60) PDGFRBPDGFRATOP2ATOP2BBRD4
SCHEMBL2198777 0.68 PDGFRB (0.60) PDGFRBPDGFRATOP2ATOP2BBRD4
SCHEMBL1986346 0.67 PIK3CA (0.44) PDGFRBPDGFRABRD4CREBBPHSP90AA1
SCHEMBL13979047 0.66 PDGFRB (0.54) PDGFRBPDGFRATOP2ATOP2BBRD4
SCHEMBL2814972 0.66 ACKR3 (0.58)
SCHEMBL1994667 0.65 CHRNB2 (0.42) BRD4CREBBP

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
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP claimed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US claimed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
EP-2516440-B1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES USEFUL TO TREAT NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE INC (US) 2014-07-23 EP disclosed
US-8524703-B2 Bridgehead amine ring-fused indoles and indolines ABBVIE INC. (US) 2013-09-03 US disclosed
US-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 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-20110152248-A1 BRIDGEHEAD AMINE RING-FUSED INDOLES AND INDOLINES IDO2, IDO1, TPH2 PDGFRB 2869/4885PDGFRA 3269/4885ATR 1705/4885

“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.