SCHEMBL590102

SCHEMBL590102

O=C(c1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)c1cccc2c1NCC2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.52
EGFR P00533 2/20 0.47
INSR P06213 2/20 0.47
MET P08581 2/20 0.47
CDK2 P24941 2/20 0.47
KDR P35968 2/20 0.47
TEK Q02763 2/20 0.47
MAPK8 P45983 2/20 0.46
AURKA O14965 6/20 0.45
AURKB Q96GD4 2/20 0.45

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
SCHEMBL592346 1.00 IGF1R (0.52) IGF1REGFRINSRMETCDK2
SCHEMBL599931 0.79 AURKA (0.39) KDRAURKAAURKB
SCHEMBL6311579 0.79 AURKA (0.73) IGF1REGFRINSRMETCDK2
SCHEMBL591481 0.78 CYP1A2 (0.44) AURKAAURKB
SCHEMBL6311161 0.72 IGF1R (0.66) IGF1REGFRINSRMETCDK2
SCHEMBL6312556 0.72 IGF1R (0.69) IGF1REGFRINSRMETCDK2
SCHEMBL6320480 0.70 IGF1R (0.69) IGF1REGFRINSRMETCDK2
SCHEMBL593065 0.70 AURKA (0.55) CDK2MAPK8AURKAAURKB
SCHEMBL6314276 0.69 IGF1R (0.66) IGF1REGFRINSRMETCDK2
SCHEMBL6317753 0.69 IGF1R (0.58) IGF1REGFRINSRMETCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114882-B2 Antitumor agents; kinase inhibitors; angiogenesis inhibitors; arteriosclerosis ; antiinflammatory agents MERCK PATENT GMBH (DE) 2012-02-14 US claimed
EP-1874760-B1 (LH-IND0L-7-YL)-( (PYRIMIDIN-2 -YL-AMINO) METHANONE DERIVATIVES AND RELATED COMPOUNDS AS IGF-RL INHIBITORS FOR TREATING CANCER MERCK PATENT GMBH (DE) 2010-10-06 EP claimed
US-8114882-B2 Antitumor agents; kinase inhibitors; angiogenesis inhibitors; arteriosclerosis ; antiinflammatory agents MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-8114882-B2 Antitumor agents; kinase inhibitors; angiogenesis inhibitors; arteriosclerosis ; antiinflammatory agents MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-8114882-B2 Antitumor agents; kinase inhibitors; angiogenesis inhibitors; arteriosclerosis ; antiinflammatory agents MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
EP-1874760-B1 (LH-IND0L-7-YL)-( (PYRIMIDIN-2 -YL-AMINO) METHANONE DERIVATIVES AND RELATED COMPOUNDS AS IGF-RL INHIBITORS FOR TREATING CANCER MERCK PATENT GMBH (DE) 2010-10-06 EP disclosed
EP-1874760-B1 (LH-IND0L-7-YL)-( (PYRIMIDIN-2 -YL-AMINO) METHANONE DERIVATIVES AND RELATED COMPOUNDS AS IGF-RL INHIBITORS FOR TREATING CANCER MERCK PATENT GMBH (DE) 2010-10-06 EP disclosed
US-20080194605-A1 (1H-Ind0l-7-Yl)-(Pyrimidin-2-Ylamino)Methanone Derivatives and Related Compounds as Igf-R1 Inhibitors for the Treatment of Cancer MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080194605-A1 (1H-Ind0l-7-Yl)-(Pyrimidin-2-Ylamino)Methanone Derivatives and Related Compounds as Igf-R1 Inhibitors for the Treatment of Cancer MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080194605-A1 (1H-Ind0l-7-Yl)-(Pyrimidin-2-Ylamino)Methanone Derivatives and Related Compounds as Igf-R1 Inhibitors for the Treatment of Cancer MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
EP-1874760-A1 (LH-IND0L-7-YL)-( (PYRIMIDIN-2 -YL-AMINO) METHANONE DERIVATIVES AND RELATED COMPOUNDS AS IGF-RL INHIBITORS FOR TREATING CANCER Merck Patent GmbH (DE) 2008-01-09 EP disclosed
WO-2006108487-A1 (LH-IND0L-7-YL)-( (PYRIMIDIN-2 -YL-AMINO) METHANONE DERIVATIVES AND RELATED COMPOUNDS AS IGF-RL INHIBITORS FOR TREATING CANCER MERCK PATENT GMBH (DE) 2006-10-19 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 (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-20080194605-A1 (1H-Ind0l-7-Yl)-(Pyrimidin-2-Ylamino)Methanone Derivatives and Related Compounds as Igf-R1 Inhibitors for the Treatment of Cancer IGF1R, INHA, CCNO IGF1R 1/4885EGFR 184/4885INSR 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.