SCHEMBL5451833

SCHEMBL5451833

COc1ccc(Cn2c(C)nc3c(Cl)ncnc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.61
DCTPP1 Q9H773 5/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE1B Q01064 3/20 0.47
MDM4 O15151 1/20 0.45
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
PDE1A P54750 1/20 0.44
PDE1C Q14123 1/20 0.44

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
SCHEMBL5452386 0.88 ALDH1A1 (0.51) PDE10ADCTPP1ALDH1A1LMNASMN1; SMN2
SCHEMBL5452368 0.86 ADORA2A (0.51) PDE10ADCTPP1ALDH1A1LMNASMN1; SMN2
SCHEMBL17283025 0.86 ALDH1A1 (0.49) PDE10ADCTPP1ALDH1A1LMNASMN1; SMN2
SCHEMBL6078154 0.85 ALDH1A1 (0.48) PDE10ADCTPP1ALDH1A1LMNASMN1; SMN2
SCHEMBL22438726 0.82 DCTPP1 (0.54) PDE10ADCTPP1ALDH1A1LMNASMN1; SMN2
SCHEMBL27837031 0.81 PI4KA (0.48) PDE10AALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL21174200 0.80 TLR7 (0.57) PDE10AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL5466105 0.78 PDE10A (0.55) PDE10ADCTPP1ALDH1A1KDM4EMAPT
SCHEMBL5465357 0.76 HPGD (0.64) ALDH1A1LMNASMN1; SMN2
SCHEMBL15719155 0.75 ADORA2A (0.45) PDE10A

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
EP-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 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 (1 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-20070203159-A1 Purine compounds PNP, UMPS, TYMP PDE10A 1512/4885DCTPP1 77/4885ALDH1A1 2044/4885

“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.