SCHEMBL3301348

SCHEMBL3301348

O=Cc1cccnc1N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 2/20 0.55
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL29728417 0.98 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19TRIM24TRIM33
SCHEMBL3302627 0.98 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19TRIM24TRIM33
SCHEMBL31213053 0.85 CHIA (0.46)
SCHEMBL2560623 0.83 EPHX2 (0.55) ALDH1A1KDM4E
SCHEMBL101958 0.83 CYP1A2 (0.56) CYP1A2CYP2C9TRIM24TRIM33MEN1
SCHEMBL5166171 0.83 CHIA (0.50)
SCHEMBL31213045 0.82 TRIM24 (0.42) CYP1A2CYP2C9CYP2C19TRIM24TRIM33
SCHEMBL31213059 0.82 SIRT6 (0.42)
SCHEMBL10318897 0.80 HSD11B1 (0.46) TRIM24TRIM33KMT2AKDM4EGAA
SCHEMBL31213058 0.77 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRHSD17B10

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
WO-2010045012-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-15 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 (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-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B CYP1A2 955/4885CYP2C9 2175/4885CYP2C19 1569/4885

“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.