Sugi Predict

Sugi Predict / Compounds / SCHEMBL506374

SCHEMBL506374

SCHEMBL506374

Cn1ccc2ccc(C#N)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.49
▸ CDC7 O00311 7/20 0.48
▸ CDK2 P24941 5/20 0.48
▸ MAP3K14 Q99558 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ GAA P10253 1/20 0.38

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
SCHEMBL30089263 1.00 CYP2A6 (0.49) CYP2A6CDC7CDK2MAP3K14L3MBTL1
SCHEMBL1779268 0.85 PRKCI (0.53) CYP2A6CDC7KDM4EALDH1A1GLA
SCHEMBL29499059 0.85 PRKCI (0.53) CYP2A6CDC7KDM4EALDH1A1GLA
SCHEMBL18029368 0.81 HTR7 (0.49) CYP2A6CDC7CDK2MAP3K14L3MBTL1
Bromide SCHEMBL7491178 0.79 KDM4E (0.37) CYP2A6CDC7CDK2MAP3K14KDM4E
SCHEMBL8430662 0.78 ALDH1A1 (0.48) CDC7CDK2MAP3K14KDM4EALDH1A1
SCHEMBL8253236 0.77 CDC7 (0.50) CDC7CDK2MAP3K14KDM4EALDH1A1
SCHEMBL27924593 0.77 CDC7 (0.48) CDC7CDK2MAP3K14KDM4EALDH1A1
SCHEMBL20655577 0.77 CDC7 (0.44) CYP2A6CDC7CDK2MAP3K14KDM4E
SCHEMBL20656047 0.77 ALDH1A1 (0.50) CYP2A6CDC7CDK2MAP3K14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104387407-A 6-methyl-6H-benzo[4, 5]thiophene[2, 3-b]indole and derivatives thereof as well as synthesis method of 6-methyl-6H-benzo[4, 5]thiophene[2, 3-b]indole and derivatives thereof UNIV XIANGTAN 2015-03-04 — — CN claimed
US-12606557-B2 Substituted indoles with inhibitory activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-04-21 — — US disclosed
CN-112279845-B Aryl or heteroaryl substituted thiadiazoles compounds and antibacterial application thereof 中国医学科学院药物研究所 2023-07-28 — — CN disclosed
US-20230192684-A1 SUBSTITUTED INDOLES WITH INHIBITORY ACTIVITY UNIV OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER HIGHER EDUCATION (US) 2023-06-22 — — US disclosed
CN-115974845-A Preparation method of oxitinib intermediate 奥锐特药业股份有限公司 2023-04-18 — — CN disclosed
CN-113717182-B Naphthoquinone polycyclic derivative, preparation method and application thereof 西华大学 2022-11-29 — — CN disclosed
CN-113717182-A Naphthoquinone polycyclic derivative, preparation method and application thereof 西华大学 2021-11-30 — — CN disclosed
CN-113121575-A (substituted phenyl) (substituted pyrimidine) amino derivative and preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2021-07-16 — — CN disclosed
EP-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 — — EP disclosed
CN-112279845-A Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof 中国医学科学院药物研究所 2021-01-29 — — CN disclosed
US-6136843-A CARDIOVASCULAR DISORDERS; KIDNEY DISORDERS PFIZER INC (US) 2000-10-24 — — US disclosed
US-6030994-A ANTIPROLIFERATIVE, TUMOR AND CARCINOGENIC AGENTS; PARTICULARLY FOR TREATMENT OF SOLID TUMORS AND THOSE OF THE BREAST AND COLON HOFFMANN-LA ROCHE INC. (US) 2000-02-29 — — US disclosed
US-6017945-A USEFUL IN THE TREATMENT OF RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION PFIZER INC. (US) 2000-01-25 — — US disclosed
CN-1226247-A Substituted bisindolylmaleimides for inhibiting cell proliferation HOFFMANN LA ROCHE (CH) 1999-08-18 — — CN disclosed
EP-0915872-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 — — EP disclosed
EP-0915871-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 — — EP disclosed
US-5891901-A ANTICARCINOGENIC AGENTS OR ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-04-06 — — US disclosed
US-5856517-A ANTIPROLIFERATIVE AGENTS USEFUL IN THE TREATMENT OF CANCER. HOFFMANN-LA ROCHE INC. (US) 1999-01-05 — — US disclosed
WO-1998004553-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F.HOFFMANN-LA ROCHE AG (CH) 1998-02-05 — — WO disclosed
WO-1998004552-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1998-02-05 — — WO 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 (2 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-12606557-B2 Substituted indoles with inhibitory activity IDO1, BCL9, IDO2 CYP2A6 337/4885CDC7 1165/4885CDK2 1364/4885
US-20230192684-A1 SUBSTITUTED INDOLES WITH INHIBITORY ACTIVITY IDO1, IDO2, INMT CYP2A6 1740/4885CDC7 386/4885CDK2 136/4885

“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.