SCHEMBL255848

SCHEMBL255848

CCOC(=O)c1nc(O)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
GAA P10253 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
NPY1R P25929 1/20 0.62
NPY2R P49146 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
GPR55 Q9Y2T6 1/20 0.62
SCN9A Q15858 1/20 0.61
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
POLB P06746 2/20 0.60
HPGD P15428 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL10249474 0.86 POLB (0.64) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL161315 0.84 SMN1; SMN2 (0.61) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL8069465 0.82 SCN9A (0.81) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL3451580 0.82 CA12 (0.48) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL15217707 0.81 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL20352238 0.80 KMT2A (0.53) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL164778 0.80 KMT2A (0.50) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL18895359 0.80 SMN1; SMN2 (0.61) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL164797 0.80 TSHR (0.53) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL161944 0.79 KDM4E (0.48) MAPTSMN1; SMN2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9308207-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2016-04-12 US disclosed
US-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2015-06-04 US disclosed
US-8927711-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2015-01-06 US disclosed
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2013-09-19 US disclosed
US-20130225614-A1 4-AZOLYLAMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
US-8349851-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2013-01-08 US disclosed
WO-2012030918-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2012-03-01 US disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US disclosed
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2010-12-16 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 (7 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-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 MAPT 3086/4885SMN1; SMN2 2798/4885MEN1 3143/4885
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 MAPT 2693/4885SMN1; SMN2 2411/4885MEN1 2211/4885
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 MAPT 3406/4885SMN1; SMN2 2983/4885MEN1 3010/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 MAPT 3086/4885SMN1; SMN2 2798/4885MEN1 3143/4885
US-20130225614-A1 4-AZOLYLAMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 MAPT 3421/4885SMN1; SMN2 2595/4885MEN1 2897/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 MAPT 3086/4885SMN1; SMN2 2798/4885MEN1 3143/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 MAPT 4254/4885SMN1; SMN2 4779/4885MEN1 4218/4885

“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.