SCHEMBL6788044

SCHEMBL6788044

CCCc1ccc(Cl)nc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL9157673 0.96 ALDH1A1 (0.46) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL9319296 0.88 MAPT (0.54) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL594105 0.86 RAB9A (0.51) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL9850747 0.84 MAPT (0.54) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL21469023 0.84 MAPT (0.54) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL9155797 0.84 PIK3CD (0.48) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL9158922 0.84 NFKB1 (0.51) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL9159976 0.83 MAPT (0.49) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL9158692 0.83 MAPT (0.49) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL9766627 0.82 MAPT (0.43) ALDH1A1GAAMAPTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
US-9919979-B2 Fertilizer-compatible composition BAYER CROPSCIENCE LP (US) 2018-03-20 US disclosed
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-03 US disclosed
US-9683003-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 WO disclosed
US-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-05 US disclosed
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
EP-1458726-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-07-15 EP disclosed
US-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 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 (10 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 ALDH1A1 3515/4885GAA 1597/4885MAPT 2371/4885
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 ALDH1A1 918/4885GAA 634/4885MAPT 4261/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 ALDH1A1 2538/4885GAA 4548/4885MAPT 4011/4885
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 ALDH1A1 4040/4885GAA 1604/4885MAPT 1661/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ALDH1A1 569/4885GAA 2063/4885MAPT 3935/4885
US-20170002032-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885GAA 555/4885MAPT 2189/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885GAA 555/4885MAPT 2189/4885
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885GAA 555/4885MAPT 2189/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ALDH1A1 569/4885GAA 2063/4885MAPT 3935/4885
US-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 ALDH1A1 2654/4885GAA 1741/4885MAPT 1695/4885

“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.