SCHEMBL1569907

SCHEMBL1569907

Cc1nnnn1-c1c[c]ccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 9/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
CCR6 P51684 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
TSHR P16473 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL8372491 0.79 ALDH1A1 (0.34) LMNAALDH1A1L3MBTL1MAPTTP53
SCHEMBL2736476 0.77 LMNA (0.57) LMNAALDH1A1L3MBTL1MAPTTP53
SCHEMBL1570181 0.72 LMNA (0.43) LMNANOTUMALDH1A1CA12CA9
SCHEMBL10053486 0.71 ALDH1A1 (0.70) LMNANOTUMALDH1A1L3MBTL1CA12
SCHEMBL10053479 0.70 ALDH1A1 (0.59) LMNANOTUMALDH1A1L3MBTL1CA12
SCHEMBL18496495 0.69 SMN1; SMN2 (0.65) LMNANOTUMALDH1A1L3MBTL1CA12
SCHEMBL1463432 0.69 NOTUM (0.47) LMNANOTUMALDH1A1L3MBTL1CA12
SCHEMBL3056133 0.69 ALDH1A1 (0.49) LMNANOTUMALDH1A1L3MBTL1CA12
SCHEMBL5540345 0.69 LMNA (0.50) LMNANOTUMALDH1A1L3MBTL1CA12
SCHEMBL1353845 0.69 ALDH1A1 (0.50) LMNANOTUMALDH1A1L3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP claimed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US claimed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP claimed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US claimed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO claimed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO disclosed
EP-2125755-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis Ag (CH) 2009-12-02 EP disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 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 (4 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 LMNA 2948/4885NOTUM 4082/4885ALDH1A1 2630/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 LMNA 2647/4885NOTUM 4031/4885ALDH1A1 2281/4885
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 LMNA 4285/4885NOTUM 1937/4885ALDH1A1 1181/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 LMNA 4285/4885NOTUM 1937/4885ALDH1A1 1181/4885

“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.