SCHEMBL1987185

SCHEMBL1987185

c1ccc2ncc(-c3cccc4c5c([nH]c34)CC3CCC5N3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
HTR6 P50406 1/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
MCHR1 Q99705 2/20 0.37
HSP90AA1 P07900 3/20 0.36
PRKCZ Q05513 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
BIRC5 O15392 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 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
SCHEMBL1986344 0.81 CHRNB2 (0.51) SIGMAR1HTR6MCHR1CHRNB2CHRNA3
SCHEMBL1986267 0.79 SIGMAR1 (0.53) SIGMAR1HTR6MCHR1CHRNB2CHRNA3
SCHEMBL1985022 0.78 CHRNB2 (0.51) SIGMAR1HTR6CHRNB2CHRNA3
SCHEMBL1987279 0.78 SIGMAR1 (0.52) SIGMAR1PDGFRBPDGFRABRD4CREBBP
SCHEMBL1986919 0.77 CHRNB2 (0.47) SIGMAR1HTR6MCHR1CHRNB2CHRNA3
SCHEMBL1986346 0.75 PIK3CA (0.44) SIGMAR1PDGFRBPDGFRABRD4CREBBP
SCHEMBL1987193 0.73 PIK3CA (0.42) BRD4CREBBPHSP90AA1
SCHEMBL27833818 0.72 PDGFRB (0.60) PDGFRBPDGFRABRD4CREBBPTOP2A
SCHEMBL7753648 0.72 CHRNB2 (0.62) CHRNB2CHRNA3
SCHEMBL1990165 0.71 PDGFRB (0.42) PDGFRBPDGFRABRD4CREBBPTOP2A

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-8778959-B2 AZA-bridged ring-fused indoles and indolines ABBVIE INC. (US) 2014-07-15 US claimed
US-20110152306-A1 AZA-BRIDGED RING-FUSED INDOLES AND INDOLINES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
US-8778959-B2 AZA-bridged ring-fused indoles and indolines ABBVIE INC. (US) 2014-07-15 US disclosed
US-20110152306-A1 AZA-BRIDGED 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-20110152306-A1 AZA-BRIDGED RING-FUSED INDOLES AND INDOLINES INMT, IDO1, IDO2 SIGMAR1 2033/4885PDGFRB 3185/4885PDGFRA 3120/4885

“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.