SCHEMBL298562

SCHEMBL298562

Nc1ccc(F)c(C(=O)c2c[nH]c3ncccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.51
BRAF P15056 3/20 0.48
NEK2 P51955 2/20 0.45
KDR P35968 1/20 0.45
CNR2 P34972 1/20 0.43
CAMKK2 Q96RR4 2/20 0.41
PKM P14618 1/20 0.41
ADORA2A P29274 1/20 0.41
CDK2 P24941 4/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
GSK3B P49841 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNE1 P24864 3/20 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
SCHEMBL857560 0.86 MAP2K1 (0.52) MAP2K1BRAFNEK2KDRCNR2
SCHEMBL3711232 0.85 CAMKK2 (0.54) MAP2K1BRAFNEK2KDRCNR2
SCHEMBL12148130 0.84 MAP2K1 (0.50) MAP2K1BRAFNEK2KDRCNR2
SCHEMBL20086218 0.84 DYRK1A (0.56) BRAFCDK2AXL
SCHEMBL857351 0.83 MAP2K1 (0.57) MAP2K1BRAFNEK2KDRCNR2
SCHEMBL27708260 0.82 MAP2K1 (0.71) MAP2K1BRAFNEK2KDRCNR2
SCHEMBL857086 0.82 MAP2K1 (0.57) MAP2K1BRAFNEK2KDRCNR2
SCHEMBL299000 0.81 BRAF (0.51) MAP2K1BRAFNEK2KDRPKM
SCHEMBL1364175 0.81 MET (0.48) MAP2K1BRAFNEK2KDRCNR2
SCHEMBL3505477 0.81 BRAF (0.54) MAP2K1BRAFNEK2KDRCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US disclosed
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US disclosed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US disclosed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
EP-1696920-A4 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2009-09-02 EP disclosed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US disclosed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US disclosed
US-20070066641-A1 Compounds and methods for development of RET modulators PLEXXIKON, INC. 2007-03-22 US disclosed
US-20070066641-A1 Compounds and methods for development of RET modulators PLEXXIKON, INC. 2007-03-22 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
EP-1696920-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2006-09-06 EP disclosed
WO-2005062795-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2005-07-14 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF MAP2K1 131/4885BRAF 1/4885NEK2 949/4885
US-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 MAP2K1 2632/4885BRAF 386/4885NEK2 1182/4885
US-20070066641-A1 Compounds and methods for development of RET modulators RET, FGFR1, FGFR3 MAP2K1 2201/4885BRAF 200/4885NEK2 1496/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 MAP2K1 3057/4885BRAF 651/4885NEK2 1178/4885

“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.