Sugi Predict

Sugi Predict / Compounds / SCHEMBL148919

SCHEMBL148919

SCHEMBL148919

CN1CCN(Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ MC4R P32245 1/20 0.59
▸ CHKA P35790 4/20 0.57
▸ USP2 O75604 1/20 0.56
▸ HRH3 Q9Y5N1 3/20 0.56
▸ CCR2 P41597 1/20 0.56
▸ CA2 P00918 1/20 0.54
▸ NCF1 P14598 1/20 0.54
▸ PRMT6 Q96LA8 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53

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
SCHEMBL21633114 0.94 KCNJ1 (0.54) KCNJ1KCNH2LMNAMC4RCHKA
SCHEMBL151521 0.94 CHKA (0.69) KCNJ1KCNH2LMNACHKAHRH3
SCHEMBL28024576 0.91 KCNJ1 (0.66) KCNJ1KCNH2USP2HRH3CCR2
SCHEMBL20804360 0.91 KCNJ1 (0.66) KCNJ1KCNH2USP2HRH3CCR2
SCHEMBL27895178 0.83 CCR2 (0.64) KCNJ1KCNH2USP2HRH3CCR2
SCHEMBL150808 0.83 HRH3 (0.68) KCNJ1KCNH2USP2HRH3CCR2
SCHEMBL23775605 0.83 KCNJ1 (0.62) KCNJ1KCNH2LMNAUSP2HRH3
SCHEMBL19425764 0.83 USP2 (0.54) KCNJ1KCNH2USP2HRH3CCR2
SCHEMBL24322486 0.82 KCNJ1 (0.57) KCNJ1KCNH2USP2HRH3CCR2
SCHEMBL22878201 0.82 USP2 (0.56) KCNJ1KCNH2USP2HRH3CCR2

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112125882-B Method for synthesizing imatinib free base 山东汇海医药化工有限公司 2023-04-11 — — CN disclosed
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 — — US disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 — — US disclosed
CN-110317202-B Cyanopyrroloheteroaryl derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-12-24 — — CN disclosed
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 — — EP disclosed
CN-112125882-A Method for synthesizing imatinib free base 山东汇海医药化工有限公司 2020-12-25 — — CN disclosed
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 — — EP disclosed
WO-2020112846-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2020-06-04 — — WO disclosed
CN-110317202-A Cyanopyrrole and heteroaryl analog derivative, preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2019-10-11 — — CN disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
EP-1418912-A2 ISOXAZOLOPYRIDINONES Novartis AG (CH) 2004-05-19 — — EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 — — WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 — — WO disclosed
WO-2003015780-A2 ISOXAZOLOPYRIDINONES AND USE THEREOF IN THE TREATMENT OF PARKINSON'S DISEASE NOVARTIS AG (CH) 2003-02-27 — — WO disclosed
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 — — EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 — — US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 — — US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 — — EP disclosed
US-4154928-A Substituted isoxazolo compounds SANDOZ, INC. (US) 1979-05-15 — — US disclosed
US-4113727-A Process for the preparation of substituted isoxazolo[4,5-c]pyridin-4-(5H)-ones SANDOZ, INC. (US) 1978-09-12 — — 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 (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-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN KCNJ1 2710/4885KCNH2 3016/4885LMNA 4332/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 KCNJ1 3571/4885KCNH2 3788/4885LMNA 2693/4885
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 KCNJ1 2589/4885KCNH2 3044/4885LMNA 4760/4885

“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.