SCHEMBL58355

SCHEMBL58355

Cc1cccc(NC(=O)Nc2ccc(-c3cc(CN4CCOCC4)n4ncnc(N)c34)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 7/20 0.61
MERTK Q12866 2/20 0.57
KDR P35968 7/20 0.49
KIT P10721 6/20 0.49
TEK Q02763 1/20 0.49
FLT3 P36888 8/20 0.47
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
ROCK2 O75116 2/20 0.42
ABL1 P00519 2/20 0.42
NTRK1 P04629 2/20 0.42
INSR P06213 2/20 0.42
LCK P06239 2/20 0.42
CSF1R P07333 2/20 0.42
LYN P07948 2/20 0.42
MET P08581 2/20 0.42
FGFR1 P11362 2/20 0.42
SRC P12931 2/20 0.42
FLT1 P17948 2/20 0.42
FGFR3 P22607 2/20 0.42

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
SCHEMBL58436 0.91 ACVRL1 (0.59) ACVRL1MERTKKDRKITTEK
SCHEMBL65127 0.91 ACVRL1 (0.65) ACVRL1MERTKKDRKITTEK
SCHEMBL58166 0.91 ACVRL1 (0.61) ACVRL1MERTKKDRKITTEK
SCHEMBL58253 0.90 ACVRL1 (0.58) ACVRL1MERTKKDRKITTEK
SCHEMBL65790 0.89 ACVRL1 (0.63) ACVRL1MERTKKDRKITTEK
SCHEMBL58292 0.89 ACVRL1 (0.58) ACVRL1MERTKKDRKITTEK
Hydrochloric Acid SCHEMBL58421 0.88 ACVRL1 (0.62) ACVRL1MERTKKDRKITTEK
SCHEMBL59916 0.88 ACVRL1 (0.66) ACVRL1MERTKKDRKITTEK
SCHEMBL59783 0.87 ACVRL1 (0.66) ACVRL1MERTKKDRKITTEK
SCHEMBL60419 0.87 ACVRL1 (0.62) ACVRL1MERTKKDRKITTEK

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN 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 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
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN claimed
EP-1575591-A4 HETEROCYCLES AND USES THEREOF ARIAD PHARMA INC (US) 2007-09-12 EP claimed
US-7238679-B2 Heterocycles and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2007-07-03 US claimed
EP-1575591-A1 HETEROCYCLES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2005-09-21 EP claimed
US-20040171586-A1 Heterocycles and uses thereof ARIAD PHARMACEUTICALS, INC. 2004-09-02 US claimed
WO-2004058267-A1 HETEROCYCLES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2004-07-15 WO claimed
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US claimed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US claimed
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN disclosed
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
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-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
US-20040171586-A1 Heterocycles and uses thereof ARIAD PHARMACEUTICALS, INC. 2004-09-02 US disclosed
WO-2004058267-A1 HETEROCYCLES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 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 (5 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 ACVRL1 4199/4885MERTK 3842/4885KDR 2216/4885
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity TOP1, NQO2, ABCC1 ACVRL1 4103/4885MERTK 3932/4885KDR 2192/4885
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ACVRL1 941/4885MERTK 1749/4885KDR 41/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ACVRL1 963/4885MERTK 1905/4885KDR 41/4885
US-20040171586-A1 Heterocycles and uses thereof CBR1, CBR3, RCOR1 ACVRL1 1551/4885MERTK 3681/4885KDR 2329/4885

“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.