SCHEMBL21152196

SCHEMBL21152196

CC(C)c1nncn1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
MAP3K12 Q12852 1/20 0.33
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
MAP3K5 Q99683 1/20 0.30
YTHDC1 Q96MU7 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
SCHEMBL21783961 0.92 CCNT1 (0.39) HSP90AA1HSP90AB1MAP3K12CCNT1CDK9
SCHEMBL23136908 0.92 CCNT1 (0.36) HSP90AA1HSP90AB1MAP3K12CCNT1CDK9
SCHEMBL21783964 0.88 HCAR1 (0.35) HSP90AA1HSP90AB1MAP3K5
SCHEMBL18912008 0.72
SCHEMBL11373735 0.68
SCHEMBL4783537 0.68 CBLB (0.33) MAP3K5YTHDC1
SCHEMBL25159717 0.67 MAP3K12 (0.43) HSP90AA1HSP90AB1MAP3K12CCNT1CDK9
SCHEMBL21697957 0.66
SCHEMBL11967281 0.66 MAP3K5 (0.31) MAP3K5
SCHEMBL22474026 0.65 MEN1 (0.37) CCNT1CDK9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
EP-3735404-B1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF SEAL ROCK THERAPEUTICS INC (US) 2023-11-29 EP disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. 2021-07-15 US disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRÖDINGER, INC. 2020-12-17 US disclosed
WO-2020046975-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. (US) 2020-03-05 WO disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed
WO-2019136025-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. (US) 2019-07-11 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 (3 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 HSP90AA1 1058/4885HSP90AB1 729/4885MAP3K12 28/4885
US-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES SNCA, MAPT, HTT HSP90AA1 125/4885HSP90AB1 85/4885MAP3K12 192/4885
US-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC HSP90AA1 1122/4885HSP90AB1 661/4885MAP3K12 547/4885

“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.