SCHEMBL842074

SCHEMBL842074

CC(C)(C)C1CC(c2cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c3c(N)ncnn23)CCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 6/20 0.49
AXL P30530 5/20 0.49
FLT1 P17948 4/20 0.49
CSF1R P07333 3/20 0.49
KIT P10721 3/20 0.49
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
RET P07949 2/20 0.49
AURKA O14965 2/20 0.49
LCK P06239 2/20 0.49
FGFR1 P11362 2/20 0.49
FGFR3 P22607 2/20 0.49
FLT3 P36888 2/20 0.49
PLK4 O00444 1/20 0.49
MAPK13 O15264 1/20 0.49
PDPK1 O15530 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49

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
SCHEMBL841952 0.92 RET (0.44) TYRO3AXLFLT1CSF1RKIT
SCHEMBL58989 0.91 RET (0.43) TYRO3AXLFLT1CSF1RKIT
SCHEMBL28776688 0.90 TYRO3 (0.54) TYRO3AXLFLT1CSF1RKIT
SCHEMBL14686127 0.87 TYRO3 (0.52) TYRO3AXLFLT1CSF1RKIT
SCHEMBL59056 0.86 TYRO3 (0.55) TYRO3AXLFLT1CSF1RKIT
SCHEMBL59884 0.85 TYRO3 (0.54) TYRO3AXLFLT1CSF1RKIT
SCHEMBL60061 0.85 BTK (0.43) TYRO3AXLRETFGFR1FLT3
SCHEMBL60212 0.85 TYRO3 (0.55) TYRO3AXLFLT1CSF1RKIT
SCHEMBL59352 0.84 TYRO3 (0.61) TYRO3AXLFLT1CSF1RKIT
SCHEMBL58316 0.84 TYRO3 (0.52) TYRO3AXLFLT1CSF1RKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP claimed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US claimed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US claimed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US claimed
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 TYRO3 2455/4885AXL 1951/4885FLT1 6/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 TYRO3 2612/4885AXL 2194/4885FLT1 5/4885

“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.