SCHEMBL5559435

SCHEMBL5559435

Nc1cccc(-c2cc3c(Nc4cccnc4)ncnc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.51
TNNI3K Q59H18 6/20 0.51
EGFR P00533 6/20 0.49
EIF2AK2 P19525 1/20 0.47
GSK3B P49841 1/20 0.47
LMNA P02545 1/20 0.46
RAF1 P04049 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
CD38 P28907 1/20 0.46
MEN1 O00255 1/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL8259230 0.88 BRAF (0.58) BRAFTNNI3KEGFREIF2AK2GSK3B
SCHEMBL8256959 0.82 EIF2AK2 (0.62) BRAFTNNI3KEGFREIF2AK2GSK3B
SCHEMBL4773624 0.82 EGFR (0.59) BRAFTNNI3KEGFRCYP1A2CYP3A4
SCHEMBL8257175 0.81 EIF2AK2 (0.57) BRAFTNNI3KEGFREIF2AK2GSK3B
SCHEMBL8256956 0.81 BRAF (0.58) BRAFTNNI3KEGFREIF2AK2GSK3B
SCHEMBL8255837 0.79 CSNK2A2 (0.56) BRAFTNNI3KEGFRCSF1R
SCHEMBL5565783 0.79 EIF2AK2 (0.58) BRAFTNNI3KEGFREIF2AK2GSK3B
SCHEMBL8255818 0.79 EGFR (0.58) BRAFTNNI3KEGFREIF2AK2GSK3B
SCHEMBL8259233 0.78 ABCG2 (0.57) BRAFTNNI3KEGFREIF2AK2GSK3B
SCHEMBL5559096 0.77 BRAF (0.53) BRAFTNNI3KEGFREIF2AK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253166-B2 6-phenyl-7H-pyrrolo[2,3-d]pyrimidine compounds that induce neuronal differentiation in embryonic stem cells IRM LLC (BM) 2007-08-07 US claimed
US-20050038049-A1 Compounds that induce neuronal differentiation in embryonic stem cells THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-17 US claimed
WO-2004093812-A2 COMPOUNDS THAT INDUCE NEURONAL DIFFERENTIATION IN EMBRYONIC STEM CELLS IRM LLC (BM) 2004-11-04 WO claimed
US-7253166-B2 6-phenyl-7H-pyrrolo[2,3-d]pyrimidine compounds that induce neuronal differentiation in embryonic stem cells IRM LLC (BM) 2007-08-07 US disclosed
US-7253166-B2 6-phenyl-7H-pyrrolo[2,3-d]pyrimidine compounds that induce neuronal differentiation in embryonic stem cells IRM LLC (BM) 2007-08-07 US disclosed
US-20050038049-A1 Compounds that induce neuronal differentiation in embryonic stem cells THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-17 US disclosed
US-20050038049-A1 Compounds that induce neuronal differentiation in embryonic stem cells THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-17 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-20050038049-A1 Compounds that induce neuronal differentiation in embryonic stem cells FER, ERBB3, FLT3 BRAF 57/4885TNNI3K 511/4885EGFR 260/4885

“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.