SCHEMBL10328319

SCHEMBL10328319

Cn1nnc2cnccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.55
KEAP1 Q14145 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.49
HCAR3 P49019 1/20 0.43
ATM Q13315 1/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41

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
SCHEMBL10328043 0.83 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1KDM4EHCAR3
SCHEMBL18885800 0.75 ALDH1A1 (0.53) ALDH1A1KDM4EATMTUBB4ATUBB
SCHEMBL7011433 0.75 ATM (0.55) ALDH1A1KDM4EATMTUBB4ATUBB
SCHEMBL12775606 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EHCAR3ATMTUBB4A
SCHEMBL20830015 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EHCAR3ATMTUBB4A
SCHEMBL9911119 0.75 ALDH1A1 (0.61) SLC9A1ALDH1A1KDM4EHCAR3TUBB4A
SCHEMBL10434384 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EATMTUBB4ATUBB
SCHEMBL10328257 0.73 IDO1 (0.39) SLC9A1KEAP1ALDH1A1SMN1; SMN2
SCHEMBL2595317 0.72 SLC9A1 (0.65) SLC9A1ALDH1A1KDM4EHCAR3MAPT
SCHEMBL24668546 0.72 ALDH1A1 (0.46) SLC9A1ALDH1A1KDM4EATMTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3694858-B1 BICYCLIC COMPOUNDS FOR USE AS RIP1 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2023-01-11 EP disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed
WO-2019072942-A1 BICYCLIC COMPOUNDS FOR USE AS RIP1 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 WO disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-9765068-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 US disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-8940726-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-01-27 US disclosed
WO-2014100730-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
US-8471006-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2013-06-25 US disclosed
US-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-8217169-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2012-07-10 US disclosed
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 US disclosed
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-03 US disclosed
US-7812158-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2010-10-12 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 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 (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-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NGLY1, NPPA, VIP SLC9A1 3725/4885KEAP1 1234/4885ALDH1A1 4753/4885
US-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP SLC9A1 3602/4885KEAP1 1668/4885ALDH1A1 4756/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 SLC9A1 3017/4885KEAP1 224/4885ALDH1A1 1890/4885
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF SLC9A1 4341/4885KEAP1 878/4885ALDH1A1 1475/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 SLC9A1 2531/4885KEAP1 579/4885ALDH1A1 3825/4885
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NGLY1, NPPA, VIP SLC9A1 3725/4885KEAP1 1234/4885ALDH1A1 4753/4885

“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.