SCHEMBL940248

SCHEMBL940248

Nc1ccc(Oc2cccc(F)c2)c(F)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.45
SLC6A4 P31645 9/20 0.45
SLC6A3 Q01959 8/20 0.45
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HTR1A P08908 3/20 0.40
MAP4K4 O95819 2/20 0.40
CDC7 O00311 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
FRK P42685 1/20 0.40
CSNK1A1 P48729 1/20 0.40

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
SCHEMBL12909137 0.84 ALDH1A1 (0.59) SLC6A2SLC6A4SLC6A3MAPTPOLB
SCHEMBL941303 0.82 CYP1A2 (0.49) SLC6A2SLC6A4SLC6A3MAPTKMT2A
SCHEMBL940157 0.79 HSPB1 (0.41) SLC6A2SLC6A4SLC6A3MAPTHTR1A
SCHEMBL24155493 0.79 IDO1 (0.47) SLC6A2SLC6A4SLC6A3MAPTHTR1A
SCHEMBL1339341 0.77 GAA (0.64) SLC6A2SLC6A4SLC6A3MAPTHTR1A
SCHEMBL10605708 0.75 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MAPTPOLB
SCHEMBL12260799 0.75 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MAPTPOLB
SCHEMBL6290334 0.74 SLC6A4 (0.57) SLC6A2SLC6A4SLC6A3MAPTHTR1A
SCHEMBL18332124 0.74 ALDH1A1 (0.52) SLC6A2SLC6A4SLC6A3MAPTPOLB
SCHEMBL23010900 0.73 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAPTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE 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-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 SLC6A2 4824/4885SLC6A4 4812/4885SLC6A3 4767/4885

“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.