SCHEMBL938815

SCHEMBL938815

Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
TTR P02766 1/20 0.69
ALB P02768 1/20 0.69
THRB P10828 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
MAPT P10636 5/20 0.44
HSPB1 P04792 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPSE Q9Y251 1/20 0.44
PDE7A Q13946 1/20 0.43
HTR6 P50406 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
PIN1 Q13526 1/20 0.40
ADORA2A P29274 1/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 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
Aclonifen SCHEMBL55487 0.82 MEN1 (1.00) MEN1KMT2ATTRALBTHRB
Aclonifen SCHEMBL4894870 0.82 MEN1 (1.00) MEN1KMT2ATTRALBTHRB
Aclonifen SCHEMBL29470834 0.82 MEN1 (1.00) MEN1KMT2ATTRALBTHRB
SCHEMBL18956882 0.82 TDP1 (0.54) MEN1KMT2ATTRALBTHRB
SCHEMBL11098331 0.82 MEN1 (0.69) MEN1KMT2ATTRALBTHRB
SCHEMBL18956840 0.82 TDP1 (0.54) MEN1KMT2ATTRALBTHRB
SCHEMBL27741909 0.81 TDP1 (0.53) MEN1KMT2ATTRALBTHRB
SCHEMBL3780857 0.78 TDP1 (0.50) MEN1KMT2ATTRALBTHRB
SCHEMBL3308030 0.78 TDP1 (0.49) MEN1KMT2ATTRALBTHRB
Hydrochloric Acid SCHEMBL25313666 0.76 ALDH1A1 (0.47) MEN1KMT2ATTRALBTHRB

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 12 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
CN-101448506-A Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER PHARMACEUTICALS CORP (US) 2009-06-03 CN disclosed
EP-1957078-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2007-06-07 WO 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 MEN1 1811/4885KMT2A 1101/4885TTR 4328/4885

“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.