SCHEMBL2818524

SCHEMBL2818524

CNc1nc2ccccc2n2c(-c3ccc(C(F)(F)F)cc3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.44
▸ IKBKB O14920 5/20 0.44
▸ CHUK O15111 2/20 0.44
▸ TOP2A P11388 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SRC P12931 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDE2A O00408 2/20 0.38
▸ CFTR P13569 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BMI1 P35226 1/20 0.37

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
SCHEMBL2837045 0.88 IKBKB (0.44) HTR2CIKBKBCHUKTOP2A
SCHEMBL2818464 0.87 HTR2C (0.47) HTR2CIKBKBCHUKTOP2AKDM4E
SCHEMBL2816677 0.86 HTR2C (0.51) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2815052 0.84 HTR2C (0.47) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2816389 0.84 HTR2C (0.47) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2818724 0.84 IKBKB (0.48) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2820522 0.84 IKBKB (0.46) IKBKBCHUKADORA2A
SCHEMBL2817059 0.82 MAPT (0.47) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2816951 0.81 HTR2C (0.44) HTR2CIKBKBCHUKTOP2AADORA2A
SCHEMBL2813932 0.81 MAPT (0.51) HTR2CIKBKBCHUKTOP2AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 — — US claimed

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 HTR2C 1292/4885IKBKB 855/4885CHUK 409/4885

“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.

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