SCHEMBL434282

SCHEMBL434282

Cc1cc2nccnc2s1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
FGFR1 P11362 1/20 0.30
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
NOTUM Q6P988 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL18965753 0.72 TDP1 (0.38) MAPK1IKBKBCHUK
SCHEMBL1698033 0.71 ALDH1A1 (0.33) PDK1NOS1
SCHEMBL14536777 0.71 CYP2A6 (0.32) POLB
SCHEMBL17452503 0.71 ALOX5 (0.32)
SCHEMBL8343981 0.71 IKBKB (0.34) IKBKBCHUKNOS1
SCHEMBL17339874 0.71 CCNB2 (0.34) IKBKBCHUKNOS1
SCHEMBL14817516 0.67 CCR1 (0.45) MAPK1POLBFGFR1CSNK2A2CSNK2B
SCHEMBL1697858 0.67 CYP2A6 (0.34)
SCHEMBL1697879 0.67 CYP2A6 (0.32)
SCHEMBL12434 0.67 CYP2A6 (0.55) PDK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US claimed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed
EP-3498701-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2019-06-19 EP disclosed
EP-3154973-B1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2018-03-21 EP disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-9846160-B2 Ganglioside GD2 as a marker and target on cancer stem cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2017-12-19 US disclosed
US-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed
EP-2155739-B1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 EP disclosed
US-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
US-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 US disclosed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 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 (6 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 PDK1 1571/4885MAPK1 2061/4885POLB 3179/4885
US-20100222328-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES HCRTR2, HCRTR1, NPY2R PDK1 2038/4885MAPK1 2856/4885POLB 4821/4885
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE APAF1, F11, SERPINB1 PDK1 4635/4885MAPK1 2525/4885POLB 3712/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 PDK1 3375/4885MAPK1 4072/4885POLB 4710/4885
US-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 PDK1 916/4885MAPK1 1702/4885POLB 4379/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B PDK1 830/4885MAPK1 2722/4885POLB 14/4885

“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.