SCHEMBL21060375

SCHEMBL21060375

CC(C)(C)OC(=O)N1CCC(c2nc(I)c(N)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
DPP4 P27487 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GPR119 Q8TDV5 5/20 0.43
TRPV3 Q8NET8 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 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
SCHEMBL30675169 1.00 KDM4E (0.46) KDM4EMAPTTHRBDPP4SMN1; SMN2
SCHEMBL1462909 0.84 KDM4E (0.48) KDM4EMAPTTHRBDPP4SMN1; SMN2
SCHEMBL1462885 0.82 MAPT (0.46) KDM4EMAPTTHRBDPP4SMN1; SMN2
SCHEMBL29196966 0.80 MAPT (0.54) KDM4EMAPTTHRBDPP4SMN1; SMN2
SCHEMBL29946951 0.80 KDM4E (0.48) KDM4EMAPTTHRBDPP4SMN1; SMN2
SCHEMBL21060264 0.80 KDM4E (0.48) KDM4EMAPTTHRBDPP4SMN1; SMN2
SCHEMBL21060475 0.78 TRPV3 (0.41) KDM4EMAPTTHRBDPP4SMN1; SMN2
SCHEMBL29897170 0.78 TRPV3 (0.41) KDM4EMAPTTHRBDPP4SMN1; SMN2
SCHEMBL17837667 0.78 GPR119 (0.49) KDM4EMAPTTHRBDPP4SMN1; SMN2
SCHEMBL3990819 0.78 MAPT (0.54) KDM4EMAPTTHRBDPP4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819176-B 4-azaindole compounds 百时美施贵宝公司 2023-12-15 CN disclosed
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US disclosed
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US disclosed
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US disclosed
EP-3728252-B1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-08-09 EP disclosed
EP-3728252-B1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-08-09 EP disclosed
US-20220340555-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-10-27 US disclosed
US-11053244-B1 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
US-11053244-B1 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
EP-3728252-A1 4-AZAINDOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
CN-111819176-A 4-azaindole compounds 百时美施贵宝公司 2020-10-23 CN disclosed
US-10730877-B2 4-Azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-10730877-B2 4-Azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20200095247-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-03-26 US disclosed
US-20200095247-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-03-26 US disclosed
US-10544143-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-10544143-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-20190185469-A1 4-AZAINDOLE COMPOUNDS SYNGENE INTERNATIONAL LIMITED (IN) 2019-06-20 US disclosed
US-20190185469-A1 4-AZAINDOLE COMPOUNDS SYNGENE INTERNATIONAL LIMITED (IN) 2019-06-20 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 (7 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-11820768-B2 4-azaindole compounds TLR7, TLR9, TLR5 KDM4E 1790/4885MAPT 4777/4885THRB 1360/4885
US-20220340555-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 KDM4E 1790/4885MAPT 4777/4885THRB 1360/4885
US-11053244-B1 4-azaindole compounds TLR7, TLR9, TLR5 KDM4E 1790/4885MAPT 4777/4885THRB 1360/4885
US-10544143-B2 4-azaindole compounds TLR7, TLR9, TLR5 KDM4E 1790/4885MAPT 4777/4885THRB 1360/4885
US-10730877-B2 4-Azaindole compounds TLR7, TLR9, TLR5 KDM4E 1790/4885MAPT 4777/4885THRB 1360/4885
US-20190185469-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 KDM4E 1790/4885MAPT 4777/4885THRB 1360/4885
US-20200095247-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 KDM4E 1790/4885MAPT 4777/4885THRB 1360/4885

“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.