SCHEMBL879003

SCHEMBL879003

O=C(Nc1cc(C(F)(F)F)cc[n+]1O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.44
TRPV1 Q8NER1 2/20 0.44
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 3/20 0.41
MAPT P10636 5/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
RAD51 Q06609 1/20 0.40
KDM4E B2RXH2 2/20 0.39
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.39
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL90894 0.86 ALDH1A1 (0.44) FAAHTRPV1ALDH1A1RAB9AMAPT
SCHEMBL10290588 0.76 CFTR (0.36) ALDH1A1MAPTCYP1A2MEN1KMT2A
SCHEMBL2635688 0.76 MEN1 (0.38) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL16907464 0.75 MAPT (0.66) FAAHTRPV1ALDH1A1RAB9AMAPT
SCHEMBL2652670 0.75 P2RX1 (0.60) FAAHTRPV1ALDH1A1MAPTCYP1A2
SCHEMBL90891 0.73 CYP11B1 (0.42) MAPTMEN1KMT2ANPSR1
SCHEMBL13437385 0.73 NPC1 (0.57) FAAHTRPV1ALDH1A1RAB9AMAPT
SCHEMBL21319259 0.73 NPSR1 (0.57) FAAHTRPV1ALDH1A1RAB9AMAPT
SCHEMBL27948244 0.73 ALDH1A1 (0.67) FAAHTRPV1ALDH1A1RAB9AMAPT
SCHEMBL28209722 0.72 KMT2A (0.62) FAAHTRPV1ALDH1A1RAB9AMAPT

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 3 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
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO 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 FAAH 3871/4885TRPV1 2154/4885ALDH1A1 3327/4885

“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.