SCHEMBL424601

SCHEMBL424601

CN1CCN(Cc2ccc(-c3ccc(N(C(N)=O)c4cccc(C(F)(F)F)c4)cc3)c3c(N)n[nH]c23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.56
KIT P10721 5/20 0.56
FLT3 P36888 5/20 0.56
ABL1 P00519 5/20 0.45
BCR P11274 4/20 0.45
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
SCN9A Q15858 1/20 0.42
FGFR1 P11362 1/20 0.40
DDR2 Q16832 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DDR1 Q08345 1/20 0.38
EPHB4 P54760 1/20 0.37
TEK Q02763 1/20 0.37
BTK Q06187 1/20 0.37
IKBKE Q14164 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 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
SCHEMBL27657311 0.92 KDR (0.56) KDRKITFLT3ABL1BCR
SCHEMBL27636396 0.86 AURKA (0.47) KDRKITFLT3ABL1BCR
SCHEMBL27636390 0.85 AURKA (0.45) KDRKITFLT3ABL1BCR
SCHEMBL27636403 0.82 KDR (0.48) KDRKITFLT3ABL1BCR
SCHEMBL27657341 0.82 KDR (0.54) KDRKITFLT3ABL1BCR
SCHEMBL423595 0.82 KDR (0.79) KDRKITFLT3ABL1AURKA
SCHEMBL28760142 0.81 KDR (0.58) KDRKITFLT3ABL1BCR
SCHEMBL27636405 0.81 KDR (0.47) KDRKITFLT3ABL1BCR
SCHEMBL27636387 0.80 BTK (0.43) KDRKITFLT3ABL1BCR
SCHEMBL27636366 0.80 KDR (0.44) KDRKITFLT3ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299243-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2012-10-30 US disclosed
US-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-01-26 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-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK KDR 724/4885KIT 361/4885FLT3 41/4885

“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.