SCHEMBL10022342

SCHEMBL10022342

Cc1cc(-c2ccc(C(C)C)cc2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.58
PSEN1 P49768 8/20 0.50
PSEN2 P49810 8/20 0.50
APH1B Q8WW43 8/20 0.50
NCSTN Q92542 8/20 0.50
APH1A Q96BI3 8/20 0.50
PSENEN Q9NZ42 8/20 0.50
CYP2D6 P10635 3/20 0.46
CYP3A4 P08684 1/20 0.46
MAP4K4 O95819 1/20 0.45
TLR8 Q9NR97 3/20 0.45
TLR7 Q9NYK1 3/20 0.45
TLR9 Q9NR96 1/20 0.45
CLK1 P49759 3/20 0.44
UHRF1 Q96T88 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL15340838 0.81 PSEN1 (0.54) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL1896511 0.81 DYRK1A (0.65) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL30308690 0.81 DYRK1A (0.65) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL31380443 0.81 ROCK2 (0.45) ROCK2ROCK1AAK1
SCHEMBL4903193 0.81 ROCK2 (0.45) ROCK2ROCK1AAK1
SCHEMBL1492706 0.80 DYRK1A (0.61) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL2615984 0.80 DYRK1A (0.61) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL6855459 0.79 DYRK1A (0.66) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL27447623 0.79 NISCH (0.42) DYRK1A
SCHEMBL19759543 0.79 ROCK2 (0.44) MAP4K4ROCK2ROCK1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795159-B2 Compounds for the treatment of SARS PURDUE RESEARCH FOUNDATION (US) 2023-10-24 US disclosed
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2023-06-22 US disclosed
US-9802904-B2 Inhibitors of the USP1/UAF1 deubiquitinase complex and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-31 US disclosed
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2015-12-03 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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 (4 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-11795159-B2 Compounds for the treatment of SARS ACE2, ACE, SARS1 DYRK1A 4771/4885PSEN1 1754/4885PSEN2 1348/4885
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF USP1, UHRF1, UBQLN1 DYRK1A 2717/4885PSEN1 3120/4885PSEN2 4017/4885
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 DYRK1A 4362/4885PSEN1 1081/4885PSEN2 1497/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA DYRK1A 698/4885PSEN1 2558/4885PSEN2 2353/4885

“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.