SCHEMBL21784747

SCHEMBL21784747

COCCc1ccc2cccnc2n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.46
SUCNR1 Q9BXA5 10/20 0.43
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
OXGR1 Q96P68 1/20 0.38

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
SCHEMBL12895009 0.82 PDE10A (0.49) PDE10ASUCNR1ALDH1A1KDM4EMEN1
SCHEMBL17921385 0.79 SUCNR1 (0.41) PDE10ASUCNR1ALDH1A1OXGR1
SCHEMBL4823229 0.78 ALDH1A1 (0.48) PDE10ASUCNR1ALDH1A1KDM4EMEN1
SCHEMBL6129289 0.78 KCNH2 (0.55) PDE10ASUCNR1ALDH1A1OXGR1
SCHEMBL20487944 0.78 PDE10A (0.43) PDE10ASUCNR1ALDH1A1KDM4EMEN1
SCHEMBL23083184 0.77 PDE10A (0.49) PDE10ASUCNR1ALDH1A1KDM4EMEN1
SCHEMBL20156313 0.77 HRH1 (0.50) PDE10ASUCNR1ALDH1A1KDM4EMEN1
SCHEMBL28337161 0.77 PDE10A (0.48) PDE10ASUCNR1ALDH1A1KDM4EMEN1
SCHEMBL27705784 0.77 PDE10A (0.48) PDE10ASUCNR1ALDH1A1KDM4EMEN1
SCHEMBL27406008 0.77 SUCNR1 (0.50) SUCNR1KDM4EMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHRÖDINGER, LLC 2020-12-10 US disclosed
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 US disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 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-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV PDE10A 4490/4885SUCNR1 2984/4885ALDH1A1 1504/4885
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV PDE10A 4490/4885SUCNR1 2984/4885ALDH1A1 1504/4885

“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.