Sugi Predict

Sugi Predict / Compounds / SCHEMBL28699019

SCHEMBL28699019

SCHEMBL28699019

Cc1c(N2CCNCC2)cnc(C(N)=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 7/20 0.44
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ ADRB1 P08588 3/20 0.40
▸ PIM1 P11309 2/20 0.39
▸ PIM3 Q86V86 2/20 0.39
▸ TGFBR1 P36897 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ CDK4 P11802 2/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCND3 P30281 2/20 0.38
▸ CDK6 Q00534 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ PIM2 Q9P1W9 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37

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
SCHEMBL31398061 0.75 CHRNB2 (0.51) ACVR1CHRNB2CHRNA4IKBKBADRB1
SCHEMBL25418328 0.75 IKBKB (0.47) ACVR1CHRNB2CHRNA4IKBKBADRB1
Hydrochloric Acid SCHEMBL25237677 0.74 CHRNB2 (0.50) ACVR1CHRNB2CHRNA4IKBKBADRB1
SCHEMBL27675711 0.73 ADRB1 (0.49) ACVR1ADRB1TGFBR1HTR7HTR1A
SCHEMBL25236439 0.72 IKBKB (0.41) ACVR1CHRNB2CHRNA4IKBKBADRB1
SCHEMBL25411523 0.72 HTR2A (0.54) ADRB1PIM1PIM3HTR7HTR1A
SCHEMBL30263296 0.72 HTR2A (0.54) ADRB1PIM1PIM3HTR7HTR1A
Hydrochloric Acid SCHEMBL31349206 0.72 ADRB1 (0.47) ACVR1ADRB1TGFBR1HTR7HTR1A
SCHEMBL29223122 0.72 ADRB1 (0.42) ACVR1IKBKBADRB1PIM1PIM3
Hydrochloric Acid SCHEMBL27844227 0.72 ADRB1 (0.47) ACVR1ADRB1TGFBR1HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368169-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS (SHANGHAI), INC. (CN) 2024-11-07 — — US disclosed
CN-118317793-A Methods for treating brain tumors and neuroblastomas 阿斯利康(瑞典)有限公司 2024-07-09 — — CN disclosed
CN-117980307-A Substituted tricyclic compounds as PARP inhibitors and application thereof 上海瑛派药业有限公司 2024-05-03 — — CN disclosed
CN-116348115-A Combination of antibody-drug conjugate and PARP1 selective inhibitor 阿斯利康(英国)有限公司 2023-06-27 — — CN disclosed
CN-115768760-A Quinoxaline derivatives as anti-cancer agents 阿斯利康(瑞典)有限公司 2023-03-07 — — CN disclosed
CN-114144413-A PARP1 inhibitors 阿斯利康(瑞典)有限公司 2022-03-04 — — CN 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 (1 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-20240368169-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF PARP1, PARP2, PARP11 ACVR1 2642/4885CHRNB2 4740/4885CHRNA4 4763/4885

“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.