SCHEMBL879082

SCHEMBL879082

CCN(CCOC)Cc1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccn3)c(C=O)c2)c2c(N)ncnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.39
MAP4K2 Q12851 2/20 0.38
FLT3 P36888 2/20 0.38
RET P07949 1/20 0.38
BCR P11274 1/20 0.38
FGFR1 P11362 1/20 0.38
FRK P42685 1/20 0.38
MAPK9 P45984 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PRKCD Q05655 1/20 0.38
DDR1 Q08345 1/20 0.38
TNK1 Q13470 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
MAP3K11 Q16584 1/20 0.38
DDR2 Q16832 1/20 0.38
RPS6KA6 Q9UK32 1/20 0.38
KDR P35968 2/20 0.36
CLK2 P49760 1/20 0.36
IRAK1 P51617 1/20 0.36
NEK4 P51957 1/20 0.36

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
SCHEMBL879083 0.91 FLT3 (0.47) BTKMAP4K2FLT3RETBCR
SCHEMBL878980 0.88 CLK4 (0.37) MAP4K2FLT3RETBCRFGFR1
SCHEMBL10290356 0.86 KDR (0.40) MAP4K2FLT3RETBCRFGFR1
SCHEMBL879122 0.84 MCHR1 (0.41) BTKKCNH2
SCHEMBL878930 0.82 FGFR1 (0.48) BTKMAP4K2FLT3RETBCR
SCHEMBL878946 0.82 RET (0.41) MAP4K2FLT3RETBCRFGFR1
SCHEMBL328104 0.80 FLT3 (0.51) BTKMAP4K2FLT3RETBCR
SCHEMBL878949 0.78 FGFR1 (0.47) BTKMAP4K2FLT3RETBCR
SCHEMBL878947 0.77 KDR (0.41) MAP4K2FLT3RETBCRFGFR1
SCHEMBL879093 0.77 KDR (0.43) FLT3KDRRIPK1

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 BTK 4107/4885MAP4K2 309/4885FLT3 299/4885

“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.