SCHEMBL12005303

SCHEMBL12005303

CCN1Cc2cc([N+](=O)[O-])ccc2C(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.43
ADRA2A P08913 3/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
DPP7 Q9UHL4 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HSP90AA1 P07900 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
TDP2 O95551 1/20 0.40

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
Bromoethane SCHEMBL14060023 0.96 PNMT (0.40) PNMTADRA2AADRA2BADRA2CDPP7
SCHEMBL12006053 0.84 PNMT (0.39) PNMTADRA2AADRA2BADRA2CDPP7
SCHEMBL12004893 0.82 CYP19A1 (0.39) PNMTADRA2AADRA2BADRA2CMAPT
SCHEMBL2246314 0.82 DPP7 (0.53) PNMTADRA2AADRA2BADRA2CDPP7
SCHEMBL5768587 0.81 LMNA (0.43) PNMTADRA2AADRA2BADRA2CDPP7
Nitric Acid SCHEMBL11738341 0.80 SIGMAR1 (0.39) DPP7LMNAKMT2ATLR9GRIN1
SCHEMBL14879191 0.77 GRIN1 (0.54) PNMTADRA2AADRA2BADRA2CDPP7
SCHEMBL1948750 0.77 GRIN1 (0.48) PNMTADRA2AADRA2BADRA2CDPP7
SCHEMBL28408084 0.77 DPP7 (0.46) PNMTADRA2AADRA2BADRA2CDPP7
SCHEMBL444981 0.77 DPP7 (0.46) PNMTADRA2AADRA2BADRA2CDPP7

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
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
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN 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 PNMT 4031/4885ADRA2A 3944/4885ADRA2B 3941/4885

“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.