SCHEMBL23978759

SCHEMBL23978759

O=C(N[C@@H]1CCc2ccccc21)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48
P2RX7 Q99572 2/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
HPGD P15428 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 3/20 0.44
EPHX1 P07099 1/20 0.43
PDE2A O00408 1/20 0.43
PDPK1 O15530 1/20 0.43
PDE4A P27815 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
SCHEMBL31484867 0.80 CNR1 (0.48) P2RX7
SCHEMBL30790978 0.80 CNR1 (0.48) P2RX7
SCHEMBL15551441 0.78 P2RX7 (0.47) P2RX7TSHRALDH1A1ROCK2ROCK1
SCHEMBL9913399 0.77 NAMPT (0.51) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL3421659 0.73 HTT (0.60) ALDH1A1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL191726 0.73 HTT (0.60) ALDH1A1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL1567171 0.73 PDPK1 (0.58) P2RX7ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL191727 0.73 HTT (0.60) ALDH1A1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL1239485 0.72 SMN1; SMN2 (0.57) TAOK1TAOK3P2RX7TSHRALDH1A1
SCHEMBL1239487 0.72 SMN1; SMN2 (0.57) TAOK1TAOK3P2RX7TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 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 (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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 TAOK1 3440/4885TAOK3 4052/4885P2RX7 1165/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 TAOK1 3440/4885TAOK3 4052/4885P2RX7 1165/4885

“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.