SCHEMBL4281127

SCHEMBL4281127

Nc1ccc(Oc2ncnc(I)c2N)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
KDR P35968 7/20 0.37
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
APEX1 P27695 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RET P07949 2/20 0.34
CYP3A4 P08684 3/20 0.34
NR4A1 P22736 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAP4K4 O95819 1/20 0.33
MAPK1 P28482 1/20 0.33
KMO O15229 1/20 0.33
TRPA1 O75762 1/20 0.33
CSF1R P07333 1/20 0.32
KIT P10721 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32

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
SCHEMBL4279705 0.82 KDR (0.37) EGFRKDRRETALDH1A1TRPA1
SCHEMBL4773446 0.77 EGFR (0.36) EGFRKDRTSHRLMNACYP2C9
SCHEMBL4292419 0.77 EGFR (0.36) EGFRKDRRETALDH1A1CSF1R
SCHEMBL2747840 0.74 TRPA1 (0.49) EGFRTSHRCYP2C9SMN1; SMN2ALDH1A1
SCHEMBL2451070 0.73 RET (0.48) KDRRETCSF1RKITPDGFRA
SCHEMBL14414778 0.73 RET (0.48) KDRRETCSF1RKITPDGFRA
SCHEMBL273483 0.73 NR4A1 (0.61) TSHRLMNACYP2C9SMN1; SMN2CYP3A4
SCHEMBL3573516 0.72 AXL (0.45) EGFRKDRLMNACYP2C9CYP3A4
SCHEMBL4290591 0.72 DYRK1A (0.45) EGFRKDRTRPA1DRD1
SCHEMBL15960748 0.72 KDR (0.53) EGFRKDRRETALDH1A1KIT

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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1904498-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-04-02 EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 WO 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 EGFR 20/4885KDR 2/4885TSHR 922/4885

“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.