SCHEMBL24410643

SCHEMBL24410643

CC(C)(C)n1nc(-c2ccc(CC(=O)O)cc2)c(C#N)c1N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 10/20 0.40
RXRA P19793 4/20 0.39
RXRG P48443 4/20 0.39
RXRB P28702 3/20 0.39
DGAT1 O75907 2/20 0.39
SRC P12931 3/20 0.39
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 1/20 0.37
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL24410372 0.90 RXRA (0.42) RXRARXRGRXRBDGAT1ABCC4
SCHEMBL24410785 0.87 SRC (0.40) RIPK2SRCLMNAGAA
SCHEMBL24410647 0.87 RXRA (0.35) RIPK2RXRARXRGRXRBDGAT1
SCHEMBL24411589 0.82 RIPK2 (0.40) RIPK2RXRARXRGRXRBSRC
SCHEMBL24411612 0.82 DGAT1 (0.40) RIPK2RXRARXRGRXRBDGAT1
SCHEMBL24410401 0.81 SRC (0.42) RXRARXRGRXRBDGAT1SRC
SCHEMBL8357891 0.81 HPGD (0.51) RIPK2SRCLMNA
SCHEMBL24133460 0.81 RIPK2 (0.39) RIPK2SRCLMNAHTTLCK
SCHEMBL24410875 0.81 RIPK2 (0.61) RIPK2DGAT1SRCLCKKDR
SCHEMBL24410648 0.80 RXRA (0.44) RXRARXRGRXRBDGAT1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970485-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2024-04-30 US disclosed
US-20230265085-A1 RET KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-08-24 US disclosed
US-20230265085-A1 RET KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-08-24 US disclosed
US-20230265085-A1 RET KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-08-24 US disclosed
US-11697647-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2023-07-11 US disclosed
US-11697647-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2023-07-11 US disclosed
US-11697647-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2023-07-11 US disclosed
WO-2022098970-A9 PYRAZOLE DERIVATIVES AS RET KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2023-04-27 WO disclosed
WO-2022098970-A1 PYRAZOLE DERIVATIVES ASR ET KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2022-05-12 WO disclosed
US-20220144816-A1 RET KINASE INHIBITORS EVOTEC INTERNATIONAL GMBH (DE) 2022-05-12 US disclosed
US-20220144816-A1 RET KINASE INHIBITORS EVOTEC INTERNATIONAL GMBH (DE) 2022-05-12 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 (4 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-11970485-B2 RET kinase inhibitors RET, BRAF, GFRA1 RIPK2 332/4885RXRA 678/4885RXRG 527/4885
US-11697647-B2 RET kinase inhibitors RET, BRAF, GFRA1 RIPK2 332/4885RXRA 678/4885RXRG 527/4885
US-20230265085-A1 RET KINASE INHIBITORS RET, BRAF, GFRA1 RIPK2 332/4885RXRA 678/4885RXRG 527/4885
US-20220144816-A1 RET KINASE INHIBITORS RET, BRAF, GFRA1 RIPK2 332/4885RXRA 678/4885RXRG 527/4885

“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.