SCHEMBL23943802

SCHEMBL23943802

O[C@H]1C[C@H]2CC[C@@H](C1)N2c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.34
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.30
AR P10275 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
SCHEMBL4665963 1.00 PDE2A (0.34) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL4669016 0.91 PDE2A (0.35) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL5806166 0.90 PDE2A (0.35) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL23943801 0.88 PDE2A (0.36) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL22818585 0.87 PDE2A (0.33) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL22800686 0.87 PDE2A (0.33) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL22800687 0.87 PDE2A (0.33) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL22800685 0.87 PDE2A (0.33) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL4665970 0.85 PDE2A (0.37) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL7821613 0.84 PDE2A (0.38) PDE2ATSHRGLANPSR1ALDH1A1

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-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-01 US disclosed
WO-2021211408-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-10-21 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 (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-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES MAPT, TUBA4A, MAP4 PDE2A 3816/4885TSHR 4078/4885GLA 2638/4885

“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.