SCHEMBL3034247

SCHEMBL3034247

Cc1cccc(B(O)O)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
EPHB4 P54760 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
MYC P01106 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 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
SCHEMBL311565 0.83 PARP1 (0.46) PARP1EPHB4TDP1L3MBTL1TSHR
SCHEMBL8344402 0.82 TDP1 (0.50) TDP1L3MBTL1MYCALDH1A1KDM4E
SCHEMBL31255754 0.80 PARP1 (0.34) PARP1TDP1L3MBTL1TSHRPOLB
SCHEMBL3787789 0.80 BCAT2 (0.42) PARP1TSHRALDH1A1KDM4EHPGD
SCHEMBL1397518 0.78 TSHR (0.51) EPHB4TSHRPOLBALDH1A1KDM4E
SCHEMBL29951593 0.77 CA12 (0.52) TDP1L3MBTL1TSHRPOLBHPGD
Hydrochloric Acid SCHEMBL4372223 0.76 TSHR (0.50) EPHB4TSHRPOLBALDH1A1KDM4E
SCHEMBL3713424 0.75 THRB (0.52) PARP1TSHRALDH1A1KDM4EHPGD
SCHEMBL2540273 0.75 PARP1 (0.46) PARP1TDP1L3MBTL1TSHRMYC
SCHEMBL30788037 0.75 THRB (0.52) PARP1TSHRALDH1A1KDM4EHPGD

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
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
EP-2212323-B1 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2012-08-15 EP disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
EP-2212323-A2 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009050183-A2 IMIDAZO [1, 2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2009-04-23 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 (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-20100210641-A1 Organic Compounds ALK, ACVR1, ACVRL1 PARP1 4257/4885EPHB4 2316/4885TDP1 2678/4885

“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.