Sugi Predict

Sugi Predict / Compounds / SCHEMBL18857421

SCHEMBL18857421

SCHEMBL18857421

CC(I)N(CC(C)(C)C)C(=O)/C=C\CN(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 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
SCHEMBL19176558 0.81 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9005206 0.76 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18857280 0.74 — —
SCHEMBL19176500 0.73 RXRA (0.30) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9005210 0.72 NPC1 (0.33) —
SCHEMBL11932207 0.70 RXRA (0.31) —
SCHEMBL9005225 0.70 ALDH1A1 (0.34) —
SCHEMBL18469903 0.70 RXRA (0.31) —
SCHEMBL22664189 0.69 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16471410 0.69 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 — — US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 — — US disclosed
US-10844077-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-24 — — US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 — — US disclosed
US-20200165267-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-28 — — US disclosed
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 — — US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 — — US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 — — US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 — — US disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 — — US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 — — US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — US disclosed
US-9676785-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-06-13 — — US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 — — US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 — — 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 (14 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-20200165267-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, MCL1 CHRNB2 4814/4885CHRNB4 4850/4885CHRNA3 4810/4885
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 CHRNB2 4404/4885CHRNB4 4533/4885CHRNA3 4765/4885
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC CHRNB2 4440/4885CHRNB4 4469/4885CHRNA3 4540/4885
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CHRNB2 4882/4885CHRNB4 4878/4885CHRNA3 4853/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC CHRNB2 4440/4885CHRNB4 4469/4885CHRNA3 4540/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK CHRNB2 4603/4885CHRNB4 4647/4885CHRNA3 4750/4885
US-10844077-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, MCL1 CHRNB2 4814/4885CHRNB4 4850/4885CHRNA3 4810/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CHRNB2 3564/4885CHRNB4 3885/4885CHRNA3 2650/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK CHRNB2 4232/4885CHRNB4 4460/4885CHRNA3 4022/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 CHRNB2 4584/4885CHRNB4 4496/4885CHRNA3 4716/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CHRNB2 3959/4885CHRNB4 3878/4885CHRNA3 4133/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CHRNB2 3564/4885CHRNB4 3885/4885CHRNA3 2650/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 CHRNB2 3620/4885CHRNB4 4706/4885CHRNA3 4608/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK CHRNB2 4603/4885CHRNB4 4647/4885CHRNA3 4750/4885

“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.