SCHEMBL16558019

SCHEMBL16558019

COc1cc2c(C)nnc(C(C)(C)C)c2cc1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
DPP4 P27487 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
SOS1 Q07889 2/20 0.32
PDE5A O76074 3/20 0.32
PDE1A P54750 3/20 0.32
PDE1B Q01064 3/20 0.32
PDE3B Q13370 3/20 0.32
PDE1C Q14123 3/20 0.32
PDE3A Q14432 3/20 0.32
HTR2A P28223 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GFER P55789 1/20 0.30
NR1I2 O75469 1/20 0.30

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
SCHEMBL18027461 0.86 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DDPP4
SCHEMBL14090807 0.85 KDM4E (0.40) PDE4APDE4BPDE4CPDE4DSOS1
SCHEMBL14850177 0.71 EGFR (0.40) PDE4APDE4BPDE4CPDE4DFGFR1
SCHEMBL16558015 0.70 TNF (0.45) PDE4APDE4BPDE4CPDE4DFGFR1
SCHEMBL16281253 0.70 KDM4E (0.50) PDE4APDE4BPDE4CPDE4DSOS1
SCHEMBL16558014 0.69 HTT (0.46) PDE4APDE4BPDE4CPDE4DFGFR1
SCHEMBL20609572 0.68 ALDH1A1 (0.41) PDE3BPDE3AKDM4EPDE10A
SCHEMBL16156475 0.68 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DDPP4
SCHEMBL18561590 0.67 HTR2A (0.47) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL13696616 0.65 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 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 (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-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK PDE4A 1910/4885PDE4B 1781/4885PDE4C 2281/4885

“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.