SCHEMBL842025

SCHEMBL842025

COC[C@@H]1CCCN1CCCc1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)CF)ccc3F)c(F)c2)c2c(N)ncnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.47
RET P07949 1/20 0.47
BCR P11274 1/20 0.47
FGFR1 P11362 1/20 0.47
FRK P42685 1/20 0.47
MAPK9 P45984 1/20 0.47
RPS6KA3 P51812 1/20 0.47
PRKCD Q05655 1/20 0.47
DDR1 Q08345 1/20 0.47
MAP4K2 Q12851 1/20 0.47
TNK1 Q13470 1/20 0.47
RPS6KA1 Q15418 1/20 0.47
MAP3K11 Q16584 1/20 0.47
DDR2 Q16832 1/20 0.47
RPS6KA6 Q9UK32 1/20 0.47
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
ACVRL1 P37023 6/20 0.36
PIK3CD O00329 1/20 0.36
NEK7 Q8TDX7 8/20 0.35

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
SCHEMBL59045 0.95 FLT3 (0.52) FLT3RETBCRFGFR1FRK
SCHEMBL10290393 0.95 FLT3 (0.52) FLT3RETBCRFGFR1FRK
SCHEMBL59465 0.92 FLT3 (0.54) FLT3RETBCRFGFR1FRK
SCHEMBL66827 0.92 FLT3 (0.54) FLT3RETBCRFGFR1FRK
SCHEMBL5179837 0.92 FLT3 (0.50) FLT3RETBCRFGFR1FRK
SCHEMBL842026 0.90 FLT3 (0.43) FLT3RETBCRFGFR1FRK
SCHEMBL842027 0.87 FLT3 (0.41) FLT3RETBCRFGFR1FRK
SCHEMBL59387 0.87 RET (0.46) FLT3RETBCRFGFR1FRK
SCHEMBL10290898 0.87 RET (0.46) FLT3RETBCRFGFR1FRK
SCHEMBL5179820 0.83 RET (0.41) FLT3RETBCRFGFR1FRK

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-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 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-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 FLT3 299/4885RET 1280/4885BCR 2886/4885

“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.