SCHEMBL2908379

SCHEMBL2908379

COCCOc1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.52
▸ ICMT O60725 3/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ CCR3 P51677 1/20 0.42

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
SCHEMBL29996269 1.00 TBXAS1 (0.52) TBXAS1ICMTMAPK1CYP1A2CYP2D6
SCHEMBL4750637 0.89 TBXAS1 (0.46) TBXAS1ICMTFFAR1
SCHEMBL20552139 0.86 TBXAS1 (0.55) TBXAS1ICMTMAPK1HRH1CCR3
SCHEMBL2536496 0.84 KMT2A (0.54) TBXAS1
SCHEMBL6490663 0.84 TBXAS1 (0.47) TBXAS1FFAR1
SCHEMBL7388461 0.84 TBXAS1 (0.56) TBXAS1HRH1CCR3
SCHEMBL16957855 0.83 MAPK1 (0.43) TBXAS1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL30924197 0.83 EGFR (0.46) MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL1070542 0.83 CYP11B1 (0.55) TBXAS1HRH1CCR3
SCHEMBL2971332 0.83 EGFR (0.46) MAPK1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139164-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-05-02 — — US disclosed
US-20240131012-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-25 — — US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
CN-115209897-A Rapamycin analogs and uses thereof 安纳库利亚治疗公司 2022-10-18 — — CN disclosed
EP-4069223-A1 RAPAMYCIN ANALOGS AND USES THEREOF Anakuria Therapeutics, Inc. (US) 2022-10-12 — — EP disclosed
US-20210186935-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 — — US disclosed
US-20210186935-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 — — US disclosed
WO-2021113665-A1 RAPAMYCIN ANALOGS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2021-06-10 — — WO disclosed
US-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 — — US disclosed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 — — US disclosed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 — — US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 — — EP disclosed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 — — EP disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 — — EP disclosed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 — — US disclosed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 — — WO disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 — — WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 — — 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 (7 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-20210186935-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR TBXAS1 1830/4885ICMT 3822/4885MAPK1 1669/4885
US-20240139164-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR TBXAS1 1830/4885ICMT 3822/4885MAPK1 1669/4885
US-20240131012-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR TBXAS1 1830/4885ICMT 3822/4885MAPK1 1669/4885
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 TBXAS1 243/4885ICMT 4024/4885MAPK1 2614/4885
US-11819476-B2 Rapamycin analogs and uses thereof RICTOR, MTOR, RPTOR TBXAS1 1861/4885ICMT 3945/4885MAPK1 504/4885
US-20090088451-A1 QUINOLINES HTR5A, HTR1A, HTR1E TBXAS1 403/4885ICMT 3673/4885MAPK1 2462/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E TBXAS1 403/4885ICMT 3673/4885MAPK1 2462/4885

“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.

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