SCHEMBL3748897

SCHEMBL3748897

CCCCCn1ccc2c(C(=O)c3cccs3)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
CNR1 P21554 5/20 0.37
CNR2 P34972 5/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL3655414 0.82 ADORA2A (0.41) ALDH1A1MAPTLMNAKMT2AHPGD
SCHEMBL3715474 0.82 ADORA2A (0.44) ALDH1A1MAPTLMNAADORA2AADORA1
SCHEMBL3657662 0.80 ADORA2A (0.35) ALDH1A1MAPTLMNAKMT2AHPGD
SCHEMBL3708446 0.79 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL3656439 0.76 ADORA2A (0.42) ALDH1A1MAPTLMNAKMT2AHPGD
SCHEMBL3703575 0.73 ADORA2A (0.40) ALDH1A1MAPTLMNAKMT2AHPGD
SCHEMBL3657664 0.72 ADORA2A (0.38) ALDH1A1MAPTLMNAKMT2AHPGD
SCHEMBL20576350 0.72 HRH4 (0.41) MAPTLMNANPSR1HTTHDAC1
SCHEMBL3709063 0.71 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL3707622 0.69 ADORA1 (0.40) ALDH1A1MAPTLMNAKMT2AHPGD

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 6 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
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 ALDH1A1 1349/4885MAPT 4813/4885LMNA 4531/4885

“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.