SCHEMBL1780936

SCHEMBL1780936

CCOC(=O)c1cc2c(cc1N)OCCO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
KDM4E B2RXH2 3/20 0.69
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 2/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 3/20 0.48
USP2 O75604 1/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 3/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
HPGD P15428 1/20 0.46
NPC1 O15118 2/20 0.45
ALPL P05186 1/20 0.45

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
SCHEMBL20825814 0.96 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL12395550 0.96 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL8802888 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL12812373 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL13533676 0.84 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL549253 0.84 MAPT (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL666309 0.82 KDM4E (1.00) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL31082315 0.82 KDM4E (1.00) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL7471868 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL21901501 0.79 KDM4E (0.61) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 US disclosed
US-9320739-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-04-26 US disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-09-03 US disclosed
EP-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 EP disclosed
US-8969587-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-03-03 US disclosed
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 US disclosed
US-8618289-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-12-31 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
EP-0805812-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-12 EP 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 (6 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF ALDH1A1 2803/4885KDM4E 1824/4885MAPT 3020/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2988/4885KDM4E 2179/4885MAPT 1517/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2803/4885KDM4E 1824/4885MAPT 3020/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2803/4885KDM4E 1824/4885MAPT 3020/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2803/4885KDM4E 1824/4885MAPT 3020/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2803/4885KDM4E 1824/4885MAPT 3020/4885

“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.