SCHEMBL1852250

SCHEMBL1852250

O=[N+]([O-])Cc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 4/20 0.58
CYP3A4 P08684 3/20 0.58
AHR P35869 1/20 0.58
GPR84 Q9NQS5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PKM P14618 1/20 0.57
PKLR P30613 1/20 0.57
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 1/20 0.54
CYP2D6 P10635 3/20 0.51
MPO P05164 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2A6 P11509 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51

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
SCHEMBL30995725 0.83 PKM (0.62) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL2187283 0.83 PKM (0.62) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL10946479 0.76 PKM (0.51) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL10578832 0.76 HTR2A (0.60) MEN1KMT2AMAPTPKMPKLR
SCHEMBL28592538 0.76 HTR2A (0.60) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL29886572 0.76 HTR2A (0.60) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL6524121 0.75 MEN1 (0.69) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL29413080 0.75 MEN1 (0.69) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL90504 0.75 MEN1 (0.69) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL27922521 0.74 KDM4E (0.67) MEN1KMT2AMAPTCYP3A4AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
US-8168634-B2 Thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-05-01 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
EP-2084155-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-08-05 EP disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008047109-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-24 WO disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA MEN1 1461/4885KMT2A 2966/4885MAPT 955/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA MEN1 1425/4885KMT2A 1926/4885MAPT 679/4885

“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.