SCHEMBL10249474

SCHEMBL10249474

CCOC(=O)c1nc(C)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
MAPT P10636 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
GAA P10253 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
NPY1R P25929 1/20 0.64
NPY2R P49146 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64
SCN9A Q15858 1/20 0.62
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL255848 0.86 MAPT (0.62) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL161315 0.85 SMN1; SMN2 (0.61) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15655480 0.84 MEN1 (0.59) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8069465 0.84 SCN9A (0.81) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15217707 0.82 MAPT (0.58) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16433005 0.80 ALDH1A1 (0.58) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2000832 0.80 SMN1; SMN2 (0.62) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL882668 0.78 HSD17B10 (0.56) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10995653 0.78 HPGD (0.46) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20301363 0.78 SMN1; SMN2 (0.52) POLBMAPTSMN1; SMN2MEN1KMT2A

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-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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 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 (3 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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 POLB 1797/4885MAPT 2693/4885SMN1; SMN2 2411/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 POLB 2985/4885MAPT 3086/4885SMN1; SMN2 2798/4885
US-20130225614-A1 4-AZOLYLAMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 POLB 2138/4885MAPT 3421/4885SMN1; SMN2 2595/4885

“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.