Sugi Predict

Sugi Predict / Compounds / SCHEMBL186914

SCHEMBL186914

SCHEMBL186914

O=Cc1c[nH]c2cc(F)c(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.53
▸ GPR84 Q9NQS5 2/20 0.50
▸ IMPDH2 P12268 1/20 0.50
▸ CCNT1 O60563 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ HASPIN Q8TF76 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PLG P00747 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 3/20 0.39
▸ PIM3 Q86V86 3/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ TRIM24 O15164 1/20 0.37
▸ TRIM33 Q9UPN9 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL29955727 0.85 GPR84 (0.56) CYP2A6GPR84IMPDH2CCNT1CDK9
SCHEMBL1248749 0.85 GPR84 (0.56) CYP2A6GPR84IMPDH2CCNT1CDK9
SCHEMBL26705634 0.85 CYP2A6 (0.56) CYP2A6GPR84IMPDH2CCNT1CDK9
SCHEMBL187017 0.85 ALDH1A1 (0.47) CYP2A6GPR84IMPDH2CCNT1CDK9
SCHEMBL15301786 0.85 CYP2A6 (0.56) CYP2A6GPR84IMPDH2CCNT1CDK9
SCHEMBL15392978 0.85 CYP2A6 (0.47) CYP2A6GPR84IMPDH2CCNT1CDK9
SCHEMBL29956408 0.85 CYP2A6 (0.47) CYP2A6GPR84IMPDH2CCNT1CDK9
SCHEMBL15161638 0.85 GPR84 (0.44) CYP2A6GPR84IMPDH2CCNT1CDK9
SCHEMBL2540187 0.81 ALDH1A1 (0.55) CYP2A6IMPDH2CCNT1CDK9HASPIN
SCHEMBL1420430 0.81 CYP2A6 (0.44) CYP2A6GPR84IMPDH2CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246965-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE EQUINORM LTD 2024-07-25 — — US disclosed
EP-4313985-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE Equinorm Ltd (FI) 2024-02-07 — — EP disclosed
CN-117412975-A Heterocyclic compounds and their use 伊科诺姆有限公司 2024-01-16 — — CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
WO-2022207979-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE EQUINORM LTD (FI) 2022-10-06 — — WO disclosed
EP-3083588-B1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO LTD (CN) 2020-12-09 — — EP disclosed
CN-111587249-A Indole compounds and uses thereof 阿里根公司 2020-08-25 — — CN disclosed
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 — — EP disclosed
US-9663498-B2 Aromatic heterocyclic compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-30 — — US disclosed
US-20160251339-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-09-01 — — US disclosed
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors MATTSON RONALD J (US) 2004-07-22 — — US disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 — — EP disclosed
EP-1373203-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 — — EP disclosed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 — — US disclosed
WO-2002079152-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 — — WO disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 — — WO disclosed
US-6433175-B1 ANTISEROTONINE AGENTS VERNALIS RESEARCH LIMITED (GB) 2002-08-13 — — US disclosed
CN-1325399-A Pyrroloindoles, pyridoindoles and azaindoles as 5-HT 2C agonists CEREBRUS RES LTD (GB) 2001-12-05 — — CN disclosed
EP-1109813-A1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 — — EP disclosed
WO-2000012510-A1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 — — 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 (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-20160251339-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS MAPT, APP, PSEN1 CYP2A6 223/4885GPR84 1926/4885IMPDH2 1287/4885
US-20240246965-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE CNR1, CNR2, OPRK1 CYP2A6 82/4885GPR84 851/4885IMPDH2 3431/4885
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 CYP2A6 255/4885GPR84 711/4885IMPDH2 1544/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C CYP2A6 287/4885GPR84 593/4885IMPDH2 1670/4885

“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.