SCHEMBL90891

SCHEMBL90891

O=C(Nc1cc(C(F)(F)F)cc[n+]1[O-])Oc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
LIPE Q05469 3/20 0.40
CNR2 P34972 1/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
ENPP2 Q13822 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
PPARG P37231 3/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37

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 0.88 ALDH1A1 (0.44) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL10290924 0.86 RHOC (0.40) CYP11B1CYP11B2MAPTSMN1; SMN2NPSR1
SCHEMBL10278822 0.76 CFTR (0.36) MAPTSMN1; SMN2NPSR1MEN1LMNA
SCHEMBL5031601 0.74 KIF11 (0.44) MAPTMEN1LMNAKMT2A
SCHEMBL879003 0.73 FAAH (0.44) MAPTNPSR1MEN1KMT2A
SCHEMBL16505901 0.67 CFTR (0.49) MAPTSMN1; SMN2NPSR1MEN1LMNA
SCHEMBL30021484 0.67 CFTR (0.49) MAPTSMN1; SMN2NPSR1MEN1LMNA
SCHEMBL9599428 0.65 ALDH1A1 (0.47) MAPTSMN1; SMN2NPSR1MEN1LMNA
SCHEMBL4901404 0.65 KIF11 (0.45) MAPTMEN1LMNAKMT2A
SCHEMBL1015645 0.64 CNR2 (0.47) MAPTSMN1; SMN2NPSR1MEN1LMNA

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
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
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 CYP11B1 2388/4885CYP11B2 1704/4885MAPT 890/4885

“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.