SCHEMBL8042730

SCHEMBL8042730

CN1CCN(c2ccccc2C(=O)Nc2n[nH]c3nc(-c4cnn5ccccc45)c(F)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
IGF1R P08069 2/20 0.41
KCNH2 Q12809 1/20 0.41
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
DRD3 P35462 5/20 0.41
DRD1 P21728 4/20 0.41
HTR2A P28223 3/20 0.41
ROCK1 Q13464 1/20 0.40
HTR1A P08908 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
FGFR1 P11362 2/20 0.38
FGFR2 P21802 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8042727 0.91 EPHB3 (0.39) ROCK1JAK2JAK1JAK3MAPT
SCHEMBL8042722 0.90 FGFR1 (0.43) EGFRIGF1RKCNH2DRD2DRD4
SCHEMBL8048684 0.86 ROCK1 (0.46) ROCK1GSK3AGSK3BTP53MAPT
SCHEMBL8043054 0.86 EPHB3 (0.47) ROCK1GSK3AGSK3BTP53MAPT
SCHEMBL13099760 0.85 ROCK1 (0.42) EGFRIGF1RROCK1GSK3AGSK3B
SCHEMBL8042726 0.85 EPHB3 (0.46) EGFRIGF1RROCK1TP53RAB9A
SCHEMBL8048686 0.83 IRAK4 (0.51) EGFRIGF1RDRD2DRD4DRD3
SCHEMBL8044716 0.83 EPHB3 (0.48) ROCK1GSK3AGSK3BEPHB3LMNA
SCHEMBL13099662 0.82 IRAK4 (0.45) HTR2AROCK1GSK3AGSK3BTP53
SCHEMBL13099745 0.82 POLB (0.42) FGFR1MAPTEPHB3LMNAHTT

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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
WO-2009038385-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2009-03-26 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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME MAP3K20, MAP3K3, MAP3K1 EGFR 1045/4885IGF1R 452/4885KCNH2 2064/4885

“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.