SCHEMBL17838003

SCHEMBL17838003

CC(C)(C)OC(=O)N1CC=C(c2cc(N)cc(C(N)=O)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.50
GRM5 P41594 9/20 0.50
PDK4 Q16654 1/20 0.45
TNK2 Q07912 2/20 0.45
CYP11B2 P19099 1/20 0.45
JAK1 P23458 1/20 0.44
NR1H2 P55055 1/20 0.43
NAMPT P43490 1/20 0.42
ATR Q13535 2/20 0.42
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL30023252 0.89 GRM1 (0.48) GRM1GRM5PDK4TNK2CYP11B2
SCHEMBL17837379 0.89 GRM1 (0.48) GRM1GRM5PDK4TNK2CYP11B2
SCHEMBL17838317 0.86 GRM1 (0.51) GRM1GRM5PDK4TNK2CYP11B2
SCHEMBL17857746 0.85 GRM1 (0.46) GRM1GRM5PDK4TNK2CYP11B2
SCHEMBL17837639 0.84 GRM1 (0.57) GRM1GRM5PDK4TNK2JAK1
SCHEMBL17844393 0.83 ALDH1A1 (0.36) GRM1GRM5
SCHEMBL24597336 0.79 GRM1 (0.51) GRM1GRM5PDK4TNK2CYP11B2
SCHEMBL30567529 0.79 GRM1 (0.51) GRM1GRM5PDK4TNK2CYP11B2
SCHEMBL22290520 0.77 GRM1 (0.53) GRM1GRM5PDK4TNK2NAMPT
SCHEMBL18755022 0.77 PDK4 (0.53) GRM1GRM5PDK4TNK2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 EP disclosed
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 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-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK GRM1 1082/4885GRM5 1645/4885PDK4 2668/4885

“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.