SCHEMBL20945281

SCHEMBL20945281

COc1cccc2c(C(N)CCCN)ccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
HASPIN Q8TF76 2/20 0.44
RAD52 P43351 1/20 0.40
DYRK2 Q92630 1/20 0.39
MAOA P21397 7/20 0.39
MAOB P27338 7/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
PGR P06401 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL20775919 0.96 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BHASPIN
SCHEMBL20945218 0.95 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BHASPIN
SCHEMBL24392332 0.77 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BRAD52
SCHEMBL20962992 0.74 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BHASPIN
SCHEMBL6215368 0.73 HTR1A (0.44) HTR1AADRA1DADRA1AADRA1BHASPIN
SCHEMBL15924403 0.73 LOXL2 (0.50) HTR1AADRA1DADRA1AADRA1BCYP1A2
SCHEMBL20962967 0.73 HTR1A (0.87) HTR1AADRA1DADRA1AADRA1BHASPIN
SCHEMBL20779743 0.73 HTR1A (0.87) HTR1AADRA1DADRA1AADRA1BHASPIN
SCHEMBL7370612 0.70 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL5754351 0.70 SIGMAR1 (0.47) HTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774046-B2 Inhibitors for the treatment of cancer and related methods UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2020-09-15 US disclosed
US-20190127329-A1 INHIBITORS FOR THE TREATMENT OF CANCER AND RELATED METHODS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2019-05-02 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 (2 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-10774046-B2 Inhibitors for the treatment of cancer and related methods PFKFB4, PDK4, PFKFB1 HTR1A 3405/4885ADRA1D 3703/4885ADRA1A 3950/4885
US-20190127329-A1 INHIBITORS FOR THE TREATMENT OF CANCER AND RELATED METHODS PFKFB4, PDK4, PFKFB1 HTR1A 3405/4885ADRA1D 3703/4885ADRA1A 3950/4885

“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.