SCHEMBL17837694

SCHEMBL17837694

CC(C)(C)OC(=O)N1CC=C(c2nn(COCC[Si](C)(C)C)c3ncccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.47
GRM1 Q13255 7/20 0.47
PDE10A Q9Y233 1/20 0.41
PDK4 Q16654 1/20 0.41
EED O75530 2/20 0.40
RBBP4 Q09028 2/20 0.40
SUZ12 Q15022 2/20 0.40
EZH2 Q15910 2/20 0.40
NAMPT P43490 1/20 0.40
TNK2 Q07912 2/20 0.40
HTR6 P50406 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
DGAT2 Q96PD7 1/20 0.39

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
SCHEMBL17837729 0.87 GRM1 (0.44) GRM5GRM1PDE10APDK4EED
SCHEMBL17837491 0.86 GRM1 (0.41) GRM5GRM1PDE10APDK4EED
SCHEMBL27193438 0.85 EED (0.38) GRM5GRM1PDE10APDK4EED
SCHEMBL29900848 0.85 GRM5 (0.41) GRM5GRM1PDE10AEEDRBBP4
SCHEMBL17837904 0.85 GRM1 (0.42) GRM5GRM1PDE10APDK4EED
SCHEMBL12874666 0.84 GRM1 (0.49) GRM5GRM1PDE10APDK4EED
SCHEMBL29900928 0.83 EED (0.38) GRM5GRM1EEDRBBP4SUZ12
SCHEMBL29900919 0.82 PIK3CA (0.37) GRM5GRM1PDE10AEEDRBBP4
SCHEMBL24330001 0.81 GRM5 (0.55) GRM5GRM1PDE10APDK4NAMPT
SCHEMBL29900931 0.81 CYP11B2 (0.40) GRM5GRM1EEDRBBP4SUZ12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022187520-A1 SUBSTITUTED 3-PIPERIDINYL-PYRAZOLO[3,4-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-09-09 WO 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
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 WO 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 GRM5 1645/4885GRM1 1082/4885PDE10A 2001/4885

“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.