SCHEMBL4710342

SCHEMBL4710342

CNc1c([N+](=O)[O-])ccc(N)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
TSHR P16473 2/20 0.40
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 5/20 0.39
POLB P06746 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.35
PKM P14618 1/20 0.35
CUL4A Q13619 1/20 0.35
DHODH Q02127 1/20 0.35
VCAM1 P19320 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
SCHEMBL894368 0.81 VCAM1 (0.47) RAB9ATSHRTDP1POLBMAPT
SCHEMBL14290261 0.77 ADORA1 (0.34) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL11649742 0.77 TDP1 (0.43) RAB9ATSHRALDH1A1TDP1POLB
SCHEMBL3144948 0.75 HSD17B10 (0.41) RAB9ATSHRALDH1A1TDP1POLB
SCHEMBL9516753 0.74 HTT (0.43) RAB9AALDH1A1POLBMEN1MAPT
SCHEMBL3145085 0.74 RAB9A (0.39) RAB9AALDH1A1TDP1POLBMAPT
SCHEMBL12972546 0.73 ALDH1A1 (0.41) RAB9ATSHRALDH1A1TDP1POLB
SCHEMBL3143576 0.73 RAB9A (0.39) RAB9AALDH1A1TDP1POLBMEN1
SCHEMBL3141013 0.73 ATM (0.48) RAB9AALDH1A1TDP1MEN1MAPT
SCHEMBL9314849 0.72 TDP1 (0.42) RAB9ATSHRALDH1A1TDP1POLB

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
EP-1309596-B1 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA (US) 2008-02-06 EP disclosed
EP-1309596-B1 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA (US) 2008-02-06 EP disclosed
US-6844435-B2 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-01-18 US disclosed
US-20030207902-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-06 US disclosed
EP-1309596-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-05-14 EP disclosed
US-6489328-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; ANTIPROLIFERATIVE AGENTS; ANTICANCER AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-03 US disclosed
US-20020119975-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
WO-2002014319-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-02-21 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-20020119975-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, JAK1, LCK RAB9A 2312/4885TSHR 3220/4885ALDH1A1 1746/4885
US-20030207902-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, JAK1, LCK RAB9A 2312/4885TSHR 3220/4885ALDH1A1 1746/4885

“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.