SCHEMBL14312779

SCHEMBL14312779

CCCS(=O)(=O)N1CCC(C(=O)c2cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c3c(N)ncnn23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.38
▸ CYP2C9 P11712 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ DYRK3 O43781 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ PRKG1 Q13976 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ SGK2 Q9HBY8 1/20 0.34
▸ CSNK1G1 Q9HCP0 1/20 0.34
▸ CSNK1G3 Q9Y6M4 1/20 0.34
▸ CYP2D6 P10635 4/20 0.33

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
SCHEMBL14312623 0.96 MERTK (0.36) AXLMERTKDYRK3ROCK2MAPK1
SCHEMBL14898487 0.92 MERTK (0.40) ALDH1A1AXLMERTKDYRK3ROCK2
SCHEMBL14312510 0.90 AXL (0.35) AXLMERTKDYRK3ROCK2MAPK1
SCHEMBL14312778 0.90 MERTK (0.35) AXLMERTKDYRK3ROCK2MAPK1
SCHEMBL14312508 0.90 GAA (0.36) ALDH1A1AXLMERTKDYRK3ROCK2
Hydrochloric Acid SCHEMBL14313126 0.86 AXL (0.37) ALDH1A1AXLMERTKDYRK3ROCK2
SCHEMBL14312564 0.86 BTK (0.39) MERTKDYRK3ROCK2MAPK1CLK2
SCHEMBL14327055 0.86 TYRO3 (0.39) MERTKRIPK1PIK3CD
SCHEMBL14313057 0.85 KDM2B (0.42) CYP2C9CYP2D6RIPK1CYP3A4
SCHEMBL14531331 0.85 MAPT (0.42) CYP1A2CYP2C9ALDH1A1MAPK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431695-B2 Pyrrolo[2,1-f][1,2,4]triazin-4-ylamines IGF-1R kinase inhibitors for the treatment of cancer and other hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-30 — — US disclosed
EP-1945222-B1 PYRROLO[2,1-F] [1,2,4]-TRIAZIN-4-YLAMINES AS IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer Pharma AG (DE) 2012-12-26 — — EP disclosed
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases BAYER HEALTHCARE AG (DE) 2011-12-01 — — 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-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases IGF1R, FGFR1, IGFBP1 CYP1A2 1952/4885CYP2C9 4550/4885ALDH1A1 1522/4885

“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.

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