SCHEMBL2935531

SCHEMBL2935531

Nc1cc(C(F)(F)F)ccc1-n1ccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
PKM P14618 1/20 0.66
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
IDO1 P14902 3/20 0.49
KDM4E B2RXH2 2/20 0.47
CD38 P28907 1/20 0.41
TBXAS1 P24557 1/20 0.41
IDH2 P48735 2/20 0.39
NOS3 P29474 1/20 0.39

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
SCHEMBL31053840 0.88 IDO1 (0.60) ALDH1A1PKMLMNAMAPTMEN1
SCHEMBL25025011 0.88 IDO1 (0.60) ALDH1A1PKMLMNAMAPTMEN1
SCHEMBL12391451 0.83 ALDH1A1 (0.57) ALDH1A1PKMLMNAMAPTMEN1
SCHEMBL12391528 0.80 ALDH1A1 (0.69) ALDH1A1PKMLMNAMAPTMEN1
SCHEMBL12391525 0.80 ALDH1A1 (1.00) ALDH1A1PKMLMNAMAPTMEN1
SCHEMBL30758086 0.80 ALDH1A1 (1.00) ALDH1A1PKMLMNAMAPTMEN1
SCHEMBL16559756 0.79 ALDH1A1 (0.55) ALDH1A1PKMLMNAMAPTMEN1
SCHEMBL3284515 0.79 IDO1 (0.53) ALDH1A1PKMLMNAMAPTMEN1
SCHEMBL15011268 0.78 ALDH1A1 (0.50) ALDH1A1PKMLMNAMAPTMEN1
SCHEMBL29276081 0.78 CYP11B1 (0.56) ALDH1A1LMNAMAPTMEN1CYP1A2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540372-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-01-10 US disclosed
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-01-07 US disclosed
US-9155737-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-10-13 US disclosed
US-20150182526-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-07-02 US disclosed
US-8912191-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-12-16 US disclosed
EP-2229391-B1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-08-06 EP disclosed
US-20140121212-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2014-05-01 US disclosed
US-8546387-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-10-01 US disclosed
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 US disclosed
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 US disclosed
WO-2009077766-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-06-25 WO disclosed
US-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-05-14 US disclosed
US-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-05-14 US disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 WO disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 WO disclosed
EP-1972629-A1 New imidazolo-heteroaryl derivatives with antibacterial properties Mutabilis SA (FR) 2008-09-24 EP disclosed
EP-1972629-A1 New imidazolo-heteroaryl derivatives with antibacterial properties Mutabilis SA (FR) 2008-09-24 EP disclosed
WO-2007115670-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GMBH (DE) 2007-10-18 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 (5 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-20150182526-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 ALDH1A1 1655/4885PKM 1068/4885LMNA 2931/4885
US-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES ABL1, NME2, MAP3K1 ALDH1A1 2311/4885PKM 404/4885LMNA 1727/4885
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 ALDH1A1 1655/4885PKM 1068/4885LMNA 2931/4885
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES ABL1, BTK, PRKACA ALDH1A1 1181/4885PKM 311/4885LMNA 2389/4885
US-20140121212-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 ALDH1A1 1655/4885PKM 1068/4885LMNA 2931/4885

“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.