SCHEMBL743349

SCHEMBL743349

CCOC(=O)c1cn(N)c(C#N)c1-c1ccc(N)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 7/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 5/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
STAT3 P40763 1/20 0.38
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
CHRNA7 P36544 1/20 0.36

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 0.85 MAPT (0.39) L3MBTL1ALDH1A1PKMHPGDNPC1
SCHEMBL762323 0.83
SCHEMBL275676 0.81 CYP17A1 (0.41) L3MBTL1KDM4EALDH1A1PKMNPC1
SCHEMBL4048062 0.81 ALDH1A1 (0.47) L3MBTL1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL275830 0.80 MAPT (0.55) L3MBTL1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL10273286 0.79 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL742641 0.78 JAK3 (0.42) L3MBTL1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL22924372 0.78 NPC1 (0.55) L3MBTL1KDM4EHSD17B10ALDH1A1PKM
SCHEMBL742980 0.77 POLB (0.44) KDM4EALDH1A1HPGDNPC1MEN1
SCHEMBL765323 0.77 ALDH1A1 (0.33) L3MBTL1KDM4EALDH1A1MEN1KMT2A

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 10 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-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 L3MBTL1 3680/4885KDM4E 1220/4885HSD17B10 2585/4885
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 L3MBTL1 3680/4885KDM4E 1220/4885HSD17B10 2585/4885

“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.