SCHEMBL12579257

SCHEMBL12579257

CC(C)N1CCC(c2nc3cc(-c4ccc(F)cc4F)nc(N4CCCC(Nc5ccc(N)c(N)n5)C4)n3n2)CC1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
IL1B P01584 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL1120223 0.91 DPP4 (0.34)
SCHEMBL1119579 0.90 BMPR1B (0.32) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1962713 0.90 BMPR1B (0.34) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1960445 0.89 ACKR3 (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1119545 0.85 BRD4 (0.35) PIM1PIM3PIM2
SCHEMBL1962515 0.85 DPP4 (0.34) MAPK14
SCHEMBL1120117 0.83 MAPK14 (0.32) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL16456992 0.80 WNT1 (0.31) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL1963189 0.78 BRD4 (0.34) MAPK14
SCHEMBL1962175 0.78 GSK3B (0.35) IL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144131-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES BAYER SCHERING PHARMA AKTIENGESELLESCHAFT (DE) 2011-06-16 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-20110144131-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES THPO, IKZF3, TPMT BMPR1B 4775/4885BMPR1A 4644/4885TGFBR1 4060/4885

“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.