SCHEMBL4809846

SCHEMBL4809846

C[C@@H](Nc1ncnc2[nH][c]cc12)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.61
NR2F2 P24468 1/20 0.61
EGFR P00533 15/20 0.59
TNF P01375 1/20 0.56
RAB9A P51151 1/20 0.56
NOD1 Q9Y239 1/20 0.56
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KRAS P01116 1/20 0.52
SOS1 Q07889 1/20 0.52
AURKA O14965 2/20 0.52
RPS6KB1 P23443 2/20 0.52
AURKB Q96GD4 1/20 0.52

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
SCHEMBL29853404 0.78 GALR3 (0.62) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL6268307 0.78 GALR3 (0.62) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL22524223 0.78 EGFR (0.66) GALR3NR2F2EGFR
SCHEMBL22524264 0.78 EGFR (0.66) GALR3NR2F2EGFR
SCHEMBL22524279 0.78 EGFR (0.66) GALR3NR2F2EGFR
SCHEMBL24453350 0.78 EGFR (0.66) GALR3NR2F2EGFR
SCHEMBL5312802 0.76 GALR3 (1.00) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL17181108 0.76 GALR3 (1.00) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL7648472 0.75 GALR3 (0.70) GALR3NR2F2EGFRTNFRAB9A
SCHEMBL7493588 0.73 EGFR (0.67) GALR3NR2F2EGFR

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
US-7390805-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-06-24 US disclosed
US-7323469-B2 7H-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-01-29 US disclosed
US-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES BOLD GUIDO 2007-07-12 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-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES TYMP, DPYD, CCND2 GALR3 4699/4885NR2F2 2371/4885EGFR 1650/4885

“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.