SCHEMBL2820359

SCHEMBL2820359

NCCNc1nc2ccccc2n2c(CCc3ccccc3)cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.52
ADORA1 P30542 3/20 0.51
MAPK8 P45983 2/20 0.51
IKBKB O14920 9/20 0.49
CHUK O15111 8/20 0.49
CDK11B P21127 2/20 0.49
CDK7 P50613 2/20 0.49
CDK13 Q14004 2/20 0.49
MAP3K19 Q56UN5 2/20 0.49
MYLK4 Q86YV6 2/20 0.49
CDK11A Q9UQ88 2/20 0.49
ERN1 O75460 1/20 0.49
RPS6KA4 O75676 1/20 0.49
PRKD3 O94806 1/20 0.49
CDK1 P06493 1/20 0.49
KIT P10721 1/20 0.49
CDK2 P24941 1/20 0.49
TYK2 P29597 1/20 0.49
CSNK1D P48730 1/20 0.49
CDK9 P50750 1/20 0.49

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
SCHEMBL2816804 0.92 MAPK8 (0.60) ADORA3ADORA1MAPK8RXFP1KDM4E
SCHEMBL2815787 0.83 HTR2C (0.50) ADORA3ADORA1MAPK8IKBKBCHUK
SCHEMBL2817725 0.82 LMNA (0.48) ADORA3ADORA1MAPK8RXFP1KDM4E
SCHEMBL2814584 0.82 IKBKB (0.52) IKBKBCHUKCDK11BCDK7CDK13
SCHEMBL2816226 0.79 TLR7 (0.48) ADORA3ADORA1SMN1; SMN2ADORA2AMEN1
SCHEMBL31047843 0.79 TLR7 (0.48) ADORA3ADORA1SMN1; SMN2ADORA2AMEN1
SCHEMBL2818033 0.77 TYMS (0.47) ADORA3ADORA1MAPK8KDM4ESMN1; SMN2
SCHEMBL2816449 0.76 MAPK8 (0.55) ADORA3ADORA1MAPK8RXFP1KDM4E
SCHEMBL2820826 0.74 IKBKB (0.48) ADORA3IKBKBCHUKCDK11BCDK7
SCHEMBL2819760 0.74 IKBKB (0.48) IKBKBCHUKCDK11BCDK7CDK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205602-B1 IMIDAZO[1,2-A]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIV MONTPELLIER (FR) 2018-09-26 EP disclosed
US-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 US disclosed
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 US 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 (1 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-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS IDH3A, NRAS, KRAS ADORA3 2351/4885ADORA1 1985/4885MAPK8 1243/4885

“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.