SCHEMBL481780

SCHEMBL481780

CC(c1ccccc1)c1cnc(N)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
LDHB P07195 6/20 0.37
LDHA P00338 6/20 0.37
POLB P06746 1/20 0.37
TLR8 Q9NR97 1/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
MAP4K4 O95819 1/20 0.35
AKT1 P31749 1/20 0.34
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34

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
SCHEMBL481420 0.79 TSHR (0.38) TAAR1
SCHEMBL29869553 0.75 ALDH1A1 (0.46) KMT2APOLBKDM4EALDH1A1MAPT
SCHEMBL29335014 0.74 NOS3 (0.39) KMT2AALDH1A1
SCHEMBL29870041 0.72 MET (0.43)
SCHEMBL28121595 0.71 POLB (0.64) KMT2APOLBTLR8NUDT1
SCHEMBL4382927 0.71 P2RX3 (0.49) KMT2APOLBPIK3CAAKT1MTOR
SCHEMBL3962873 0.71 P2RX3 (0.49) KMT2APOLBPIK3CAAKT1MTOR
SCHEMBL8989811 0.70 KMT2A (0.43) KMT2APOLBTLR8KDM4ETAAR1
SCHEMBL6559740 0.70 KMT2A (0.41) KMT2ATLR8KDM4ETAAR1HTR2C
SCHEMBL5981333 0.69 NOS3 (0.44) KMT2APOLBALDH1A1HPGDTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
US-7956056-B2 Certain 1H-imidazo[4,5-B]pyrazin-2(3H)-ones and 1H-imidazo[4,5-B]pyrazin-2-ols, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2011-06-07 US disclosed
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2011-01-20 US disclosed
CN-101065016-A Imidazo{4,5-b}pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA NV (BE) 2007-10-31 CN 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 (2 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA KMT2A 762/4885LDHB 425/4885LDHA 393/4885
US-20110014212-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, TNNC1 KMT2A 2568/4885LDHB 548/4885LDHA 804/4885

“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.