SCHEMBL21363717

SCHEMBL21363717

Cc1cnc2ccc(Cc3ccc4ncccc4c3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ CYP1A2 P05177 1/20 0.57
▸ PDE10A Q9Y233 2/20 0.49
▸ CCR1 P32246 1/20 0.47
▸ CCR5 P51681 1/20 0.47
▸ CCR8 P51685 1/20 0.47
▸ MET P08581 9/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CHKA P35790 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL28250308 0.86 ALDH1A1 (0.66) ALDH1A1PDE10AMETNPC1POLB
SCHEMBL27022434 0.79 ALDH1A1 (0.56) ALDH1A1CYP1A2PDE10AMETNPC1
SCHEMBL27824234 0.79 MET (0.53) ALDH1A1PDE10AMETNPC1POLB
SCHEMBL19920423 0.78 PDE10A (0.49) ALDH1A1PDE10AMETKDM4E
SCHEMBL24421913 0.77 CYP1A2 (0.55) CYP1A2PDE10A
SCHEMBL25752809 0.77 PDE10A (0.48) ALDH1A1PDE10ACCR1CCR5CCR8
SCHEMBL14084759 0.77 CYP1A2 (0.53) ALDH1A1CYP1A2CCR1CCR5CCR8
SCHEMBL21292974 0.77 KLKB1 (0.41) ALDH1A1CYP1A2PDE10AMET
SCHEMBL27988345 0.76 MET (0.55) ALDH1A1PDE10AMETNPC1POLB
SCHEMBL28254153 0.76 MET (0.55) ALDH1A1PDE10AMETNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof ACCRO BIOSCIENCE INC. (KY) 2020-10-27 — — US disclosed
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 — — US disclosed
US-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-10-22 — — US disclosed
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (HK) 2019-09-19 — — 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-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof WNT1, WNT3A, CTNNB1 ALDH1A1 1909/4885CYP1A2 2852/4885PDE10A 2312/4885
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 ALDH1A1 1909/4885CYP1A2 2852/4885PDE10A 2312/4885
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof LITAF, BAX, TNF ALDH1A1 2504/4885CYP1A2 735/4885PDE10A 3389/4885
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF LITAF, BAX, TNF ALDH1A1 2504/4885CYP1A2 735/4885PDE10A 3389/4885

“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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