SCHEMBL22800686

SCHEMBL22800686

CO[C@@H]1CC2CC[C@@H](C1)N2c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.33
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL22800685 1.00 PDE2A (0.33) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL22800687 1.00 PDE2A (0.33) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL22818585 1.00 PDE2A (0.33) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL4669016 0.88 PDE2A (0.35) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL5806166 0.88 PDE2A (0.35) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL23943802 0.87 PDE2A (0.34) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL4665963 0.87 PDE2A (0.34) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL23943801 0.85 PDE2A (0.36) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL4666594 0.80 TSHR (0.37) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL4666650 0.77 PDE2A (0.36) PDE2ATSHRKMT2AALDH1A1POLB

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-11623927-B2 Substituted [1,2,4]triazolo[1,5-a]pyrimidines for stabilizing microtubules THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-04-11 US disclosed
US-20200399269-A1 [1,2,4]TRIAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2020-12-24 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-11623927-B2 Substituted [1,2,4]triazolo[1,5-a]pyrimidines for stabilizing microtubules TUBB1, TUBA1B, TUBA1C PDE2A 3551/4885TSHR 880/4885GLA 2366/4885
US-20200399269-A1 [1,2,4]TRIAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES TUBA1C, TUBB1, TUBA8 PDE2A 2733/4885TSHR 987/4885GLA 2250/4885

“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.