SCHEMBL12005306

SCHEMBL12005306

CN1CCCC1CCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.52
GFER P55789 1/20 0.52
MITF O75030 1/20 0.52
CHRM3 P20309 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
UHRF1 Q96T88 1/20 0.47
MAPT P10636 2/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1595222 0.82 MAPT (0.54) RAD52GFERMITFCHRM3RAB9A
SCHEMBL1596295 0.81 CHRNB4 (0.49) RAD52GFERMITFCHRM3NPC1
SCHEMBL14062185 0.80 RAD52 (0.53) RAD52GFERMITFNPC1RAB9A
SCHEMBL11373488 0.77 HRH3 (0.56) CHRM3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6067773 0.76 RIPK1 (0.60) CHRM3NPC1RAB9ACHRNB4CHRNA3
SCHEMBL5212896 0.76 RIPK1 (0.60) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL11182942 0.76 CAMK2D (0.49) RAD52GFERMITFCHRM3NPC1
SCHEMBL6182027 0.74 CHRNB4 (0.75) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6182021 0.74 CHRNB4 (0.75) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3585157 0.74 HRH3 (0.60) MAPTHRH3ALDH1A1SMN1; SMN2

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
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 RAD52 4241/4885GFER 4085/4885MITF 2970/4885

“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.