SCHEMBL940132

SCHEMBL940132

Nc1ncnn2cc(C(=O)NCCCN3CCOCC3)c(-c3ccc(Nc4nc5cc(F)cc(F)c5[nH]4)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.48
MET P08581 1/20 0.45
KLK7 P49862 1/20 0.41
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
MAPK14 Q16539 2/20 0.39
BCL3 P20749 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL939826 0.95 KDR (0.47) KDRMETMAP4K4MAPT
SCHEMBL939080 0.86 CNR2 (0.40) METKMT2AMAP4K4MAPTALDH1A1
SCHEMBL938734 0.86 MTOR (0.40) KDRMAP4K4MAPK14
SCHEMBL939513 0.85 MAPK14 (0.40) KDRMETMAPK14
SCHEMBL940284 0.85 FGFR1 (0.44) KDRMAP4K4MAPK14
SCHEMBL940299 0.85 RIPK1 (0.38) KDRMAPK14
SCHEMBL940898 0.85 MAP4K4 (0.40) KDRMETMAP4K4MAPK14
SCHEMBL939111 0.84 KDM4E (0.39) KDRKMT2AMAP4K4MAPTALDH1A1
SCHEMBL940848 0.84 AURKB (0.37) KDR
SCHEMBL941908 0.83 FGFR1 (0.38) KDRMETMAPK14

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 6 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 claimed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US claimed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US claimed
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-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 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-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 KDR 1946/4885MET 2131/4885KLK7 1248/4885

“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.