Sugi Predict

Sugi Predict / Compounds / SCHEMBL1199907

SCHEMBL1199907

SCHEMBL1199907

Cc1cc2[nH]nc(Br)c2cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL16620326 0.95 CYP1A2 (0.40) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL20916841 0.88 MAPT (0.44) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL30554364 0.88 MAPT (0.44) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL18216944 0.83 ADORA2A (0.45) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL1028170 0.81 TSHR (0.38) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL13997968 0.80 TDO2 (0.36) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL17373923 0.79 CA12 (0.38) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL10151125 0.79 ADORA2A (0.44) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL1025990 0.76 GAA (0.37) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL4008191 0.76 HPGD (0.62) MEN1KMT2AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 — — US disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 — — US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 — — US disclosed
CN-101772501-A Heterocyclic compounds and their use as ERK inhibitors SCHERING CORP 2010-07-07 — — CN disclosed
EP-2170893-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2010-04-07 — — EP disclosed
WO-2008156739-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-12-24 — — WO disclosed
WO-2008156739-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-12-24 — — WO 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 (2 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 CYP1A2 694/4885TSHR 3856/4885MEN1 1757/4885
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 CYP1A2 1951/4885TSHR 4032/4885MEN1 2815/4885

“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.