SCHEMBL744523

SCHEMBL744523

CCOC(=O)c1c[nH]c(C#N)c1-c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 4/20 0.41
BRAF P15056 1/20 0.41
NPC1 O15118 1/20 0.40
MITF O75030 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GALR2 O43603 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 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
SCHEMBL276542 0.88 ALDH1A1 (0.39) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL762777 0.85 TSHR (0.33) ALDH1A1LMNAMAPTMITFSMN1; SMN2
SCHEMBL743085 0.84 POLB (0.42) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL276059 0.83 AR (0.56) POLBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL742980 0.79 POLB (0.44) POLBALDH1A1LMNAMAPTBRAF
SCHEMBL276058 0.79 MAPT (0.47) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL765513 0.78 PDGFRB (0.39) ALDH1A1LMNAMAPTHPGDNPSR1
SCHEMBL14494609 0.76 JAK2 (0.53) ALDH1A1LMNAMAPTNPC1SMN1; SMN2
SCHEMBL4045580 0.75 ALDH1A1 (0.52) ALDH1A1LMNAMAPTNPC1SMN1; SMN2
SCHEMBL742641 0.74 JAK3 (0.42) POLBALDH1A1MAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 US disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 US disclosed
EP-2203060-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2010-07-07 EP disclosed
WO-2009042543-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2009-04-02 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-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 POLB 697/4885ALDH1A1 3546/4885LMNA 1679/4885

“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.