SCHEMBL3715474

SCHEMBL3715474

O=C(c1cccs1)c1nc(Cl)nc2c1ccn2Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA1 P30542 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGDS O60760 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CACNA2D1 P54289 3/20 0.38
ADORA2B P29275 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
GAA P10253 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
SCHEMBL3748897 0.82 ALDH1A1 (0.41) ADORA2AADORA1HDAC1HTTSMN1; SMN2
SCHEMBL3710910 0.80 ADORA2A (0.61) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3655414 0.80 ADORA2A (0.41) ADORA2AADORA1HTTSMN1; SMN2MAPT
SCHEMBL3657662 0.80 ADORA2A (0.35) ADORA2AADORA1HTTSMN1; SMN2MAPT
SCHEMBL3656439 0.74 ADORA2A (0.42) ADORA2AADORA1HTTSMN1; SMN2MAPT
SCHEMBL3657664 0.72 ADORA2A (0.38) ADORA2AADORA1HTTMAPTNPSR1
SCHEMBL18952051 0.72 HDAC1 (0.58) HDAC1HDAC2HRH3NOTUM
SCHEMBL3703575 0.71 ADORA2A (0.40) ADORA2AADORA1HTTSMN1; SMN2MAPT
SCHEMBL3709063 0.68 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3655720 0.68 ADORA2A (0.41) ADORA2AADORA1HDAC1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305143-A1 PYRROLOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2010-12-02 US disclosed
US-20100305143-A1 PYRROLOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2010-12-02 US disclosed
US-20100305143-A1 PYRROLOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2010-12-02 US disclosed
EP-2203452-A1 PYRROLOPYRIMIDINE COMPOUNDS Vernalis (R&D) Ltd. (GB) 2010-07-07 EP disclosed
WO-2009037467-A1 PYRROLOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2009-03-26 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-20100305143-A1 PYRROLOPYRIMIDINE COMPOUNDS ADORA2B, CNR2, CNR1 ADORA2A 15/4885ADORA1 39/4885HDAC1 1914/4885

“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.