SCHEMBL21785277

SCHEMBL21785277

CCCCc1nc(C)sc1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.32
NOS2 P35228 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 1/20 0.30
GABRQ Q9UN88 1/20 0.30
ALOX15 P16050 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
SCHEMBL15897986 0.88 PDE2A (0.34) GRM5ALDH1A1ALOX15HSD17B10
SCHEMBL11633106 0.84 MEN1 (0.36) ALDH1A1
SCHEMBL12827565 0.81 GRM5 (0.37) GRM5ALDH1A1ALOX15HSD17B10
SCHEMBL26259352 0.79 SLC6A3 (0.36) ALDH1A1NOS2GABRPGABRDGABRA1
SCHEMBL19599194 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10156309 0.75 GRM5 (0.34) GRM5
SCHEMBL10284723 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL22612674 0.75 ALDH1A1 (0.35) GRM5ALDH1A1NOS2HSD17B10
SCHEMBL5139295 0.73 MEN1 (0.37) ALDH1A1
SCHEMBL13566375 0.72 ALDH1A1 (0.39) ALDH1A1

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-10882865-B2 Pyrrolopyrimidine compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2021-01-05 US disclosed
US-20200071334-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2020-03-05 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-10882865-B2 Pyrrolopyrimidine compounds and uses thereof for modulating glucocerebrosidase activity GAA, GBA1, GBA3 GRM5 801/4885ALDH1A1 1932/4885NOS2 4180/4885
US-20200071334-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GAA, GBA3, GBA1 GRM5 745/4885ALDH1A1 1830/4885NOS2 4145/4885

“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.