SCHEMBL742980

SCHEMBL742980

CCOC(=O)c1cn(N)c(C#N)c1-c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.42
BRAF P15056 1/20 0.39
MITF O75030 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
GALR2 O43603 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TEAD2 Q15562 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
SCHEMBL275609 0.89 MAPT (0.39) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL762157 0.85 MERTK (0.33) ALDH1A1LMNAMAPTMITFSMN1; SMN2
SCHEMBL275830 0.84 MAPT (0.55) MAPTSMN1; SMN2AR
SCHEMBL275829 0.80 MAPT (0.43) POLBALDH1A1LMNAMAPTMITF
SCHEMBL744523 0.79 POLB (0.42) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL743349 0.77 L3MBTL1 (0.39) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL4048062 0.77 ALDH1A1 (0.47) ALDH1A1LMNAMAPTNPC1SMN1; SMN2
SCHEMBL10273286 0.75 KDM4E (0.41) POLBALDH1A1LMNAMAPTHPGD
SCHEMBL744286 0.74 EGFR (0.42) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL743085 0.73 POLB (0.42) POLBALDH1A1LMNAMAPTNPC1

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 2 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

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.