Sugi Predict

Sugi Predict / Compounds / SCHEMBL5000253

SCHEMBL5000253

SCHEMBL5000253

[CH2][C@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.72
▸ HTR2C P28335 3/20 0.72
▸ HTR6 P50406 3/20 0.72
▸ HTR1D P28221 2/20 0.72
▸ HTR1B P28222 2/20 0.72
▸ HTR7 P34969 2/20 0.72
▸ HTR1A P08908 2/20 0.72
▸ HTR2B P41595 2/20 0.72
▸ ADRB1 P08588 1/20 0.72
▸ ADRA2A P08913 1/20 0.72
▸ SLC6A2 P23975 1/20 0.72
▸ HTR1E P28566 1/20 0.72
▸ SLC6A4 P31645 1/20 0.72
▸ SLC6A3 Q01959 1/20 0.72
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ MAPT P10636 3/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ MPO P05164 2/20 0.64
▸ PMP22 Q01453 2/20 0.64

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
SCHEMBL5003380 1.00 HTR2A (0.72) HTR2AHTR2CHTR6HTR1DHTR1B
SCHEMBL4657384 1.00 HTR2A (0.72) HTR2AHTR2CHTR6HTR1DHTR1B
SCHEMBL22012838 0.87 HTR2A (0.74) HTR2AHTR2CHTR6HTR1DHTR1B
SCHEMBL9026854 0.84 HTR2A (0.70) HTR2AHTR2CHTR6HTR1DHTR1B
SCHEMBL29886359 0.84 HTR2A (1.00) HTR2AHTR2CHTR6HTR1DHTR1B
SCHEMBL25029870 0.84 HTR2A (0.70) HTR2AHTR2CHTR6HTR1DHTR1B
SCHEMBL20393056 0.84 HTR2A (0.70) HTR2AHTR2CHTR6HTR1DHTR1B
SCHEMBL599674 0.84 HTR2A (1.00) HTR2AHTR2CHTR6HTR1DHTR1B
SCHEMBL274268 0.84 HTR2A (1.00) HTR2AHTR2CHTR6HTR1DHTR1B
SCHEMBL29941662 0.84 HTR2A (0.70) HTR2AHTR2CHTR6HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 — — CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 — — CN claimed
CN-103044311-B Multi-substituted indole compounds and preparation method and application thereof UNIV SHANDONG 2015-04-22 — — CN claimed
CN-103044311-A Multi-substituted indole compounds and preparation method and application thereof UNIV SHANDONG 2013-04-17 — — CN claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 — — US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 — — US claimed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 — — EP claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 — — US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 — — WO claimed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 — — CN disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 — — CN disclosed
CN-103044311-B Multi-substituted indole compounds and preparation method and application thereof UNIV SHANDONG 2015-04-22 — — CN disclosed
CN-103044311-A Multi-substituted indole compounds and preparation method and application thereof UNIV SHANDONG 2013-04-17 — — CN disclosed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 — — US disclosed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 — — US disclosed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 — — EP disclosed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 — — US disclosed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 — — 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-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA HTR2A 3066/4885HTR2C 2598/4885HTR6 2843/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 HTR2A 680/4885HTR2C 180/4885HTR6 728/4885

“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.