SCHEMBL90903

SCHEMBL90903

C=C1OB(c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
KCNJ6 P48051 3/20 0.40
KCNJ5 P48544 3/20 0.40
KCNJ3 P48549 3/20 0.40
BLM P54132 1/20 0.40
KDR P35968 8/20 0.39
LCK P06239 5/20 0.39
CSF1R P07333 5/20 0.39
LYN P07948 5/20 0.39
KIT P10721 5/20 0.39
SRC P12931 5/20 0.39
FLT4 P35916 5/20 0.39
FLT3 P36888 5/20 0.39
BLK P51451 5/20 0.39

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
SCHEMBL59133 0.83 KDR (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12424456 0.81 CA12 (0.52) KDRCSF1RKITSRCFLT4
SCHEMBL13067989 0.80 IL2 (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13622824 0.78 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13578707 0.77 CA1 (0.41) NPC1MEN1KMT2ALMNAMAPT
SCHEMBL60253 0.74 PDGFRB (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL423178 0.74 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10087260 0.74 CA1 (0.36) MEN1KMT2ACA12CA1CA2
SCHEMBL17200537 0.73 PDGFRB (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14117307 0.73 STIM1 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 NPC1 4438/4885RAB9A 4622/4885SMN1; SMN2 4041/4885

“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.