SCHEMBL279788

SCHEMBL279788

CC1OB(c2cc(F)c(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2F)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDR P35968 8/20 0.41
BRAF P15056 3/20 0.41
PDGFRB P09619 3/20 0.41
AURKB Q96GD4 2/20 0.39
AURKA O14965 1/20 0.39
NTRK1 P04629 1/20 0.39
RET P07949 1/20 0.39
LTK P29376 1/20 0.39
FLT3 P36888 1/20 0.39
CDK8 P49336 1/20 0.39
NTRK3 Q16288 1/20 0.39
MAPK14 Q16539 1/20 0.39
NTRK2 Q16620 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
SCHEMBL60597 0.85 KDR (0.49) MEN1KMT2ATSHRCA12CA1
SCHEMBL60080 0.78 CHRNA7 (0.49) MEN1KMT2ATSHRKDRBRAF
SCHEMBL58847 0.77 KDR (0.48) MEN1KMT2ATSHRCA12CA1
SCHEMBL59389 0.77 KDR (0.42) MEN1KMT2ATSHRCA12CA1
SCHEMBL59004 0.74 KDR (0.55) CA12CA1CA2CA9KDR
SCHEMBL57891 0.74 KDR (0.55) MEN1KMT2ATSHRCA12CA1
SCHEMBL60148 0.74 KDR (0.45) KDRBRAFPDGFRBMAPK14
SCHEMBL60226 0.73 KMT2A (0.51) MEN1KMT2AKDRPDGFRBNTRK1
SCHEMBL90876 0.73 PDGFRB (0.42) MEN1KMT2ATSHRCA12CA1
SCHEMBL57514 0.72 KDR (0.47) KDRBRAFPDGFRBAURKBAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 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 (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-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 MEN1 4024/4885KMT2A 1231/4885TSHR 3585/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 MEN1 4024/4885KMT2A 1231/4885TSHR 3585/4885

“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.