SCHEMBL22450682

SCHEMBL22450682

CC(=O)c1nn(C)c2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.51
▸ GABRG2 P18507 1/20 0.51
▸ GABRB3 P28472 1/20 0.51
▸ GABRA5 P31644 1/20 0.51
▸ KDM4C Q9H3R0 1/20 0.46
▸ MAPK8 P45983 8/20 0.44
▸ MAPK9 P45984 5/20 0.44
▸ KCNH2 Q12809 1/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ MAPK10 P53779 4/20 0.41
▸ DYRK3 O43781 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ SRPK1 Q96SB4 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.40
▸ KMO O15229 1/20 0.40

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
SCHEMBL10253820 0.87 KDM4C (0.52) GABRA1GABRG2GABRB3GABRA5KDM4C
SCHEMBL17423838 0.87 KMO (0.46) GABRA1GABRG2GABRB3GABRA5KDM4C
SCHEMBL15898849 0.83 KDM4C (0.46) KDM4CMAPK8MAPK9NAMPTMAPK10
SCHEMBL14032262 0.82 KDM4C (0.46) GABRA1GABRG2GABRB3GABRA5KDM4C
SCHEMBL29989752 0.81 KDM4E (0.39) GABRA1GABRG2GABRB3GABRA5KDM4C
SCHEMBL22450707 0.81 L3MBTL1 (0.44) KDM4CNAMPTELANEKDM4E
SCHEMBL18527347 0.78 KDM4E (0.41) GABRA1GABRG2GABRB3GABRA5KDM4C
SCHEMBL31425505 0.76 CHRM4 (0.40) GABRA1GABRG2GABRB3GABRA5KDM4C
SCHEMBL30467838 0.76 KDM4E (0.62) KCNH2ELANEKDM4E
SCHEMBL7297926 0.76 KDM4E (0.62) KCNH2ELANEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof CHIA TAI TIANGQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-14 — — US disclosed
US-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-09 — — US disclosed
EP-3936126-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-01-12 — — EP disclosed
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-02 — — US disclosed
EP-3712162-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-09-23 — — EP 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 (3 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-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR BIRC5, XIAP, BIRC2 GABRA1 3721/4885GABRG2 3393/4885GABRB3 3447/4885
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 GABRA1 4044/4885GABRG2 3622/4885GABRB3 3709/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 GABRA1 4044/4885GABRG2 3622/4885GABRB3 3709/4885

“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.

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