SCHEMBL4885757

SCHEMBL4885757

CCc1cc2c(Cl)cncc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 6/20 0.51
ICAM1 P05362 5/20 0.51
VCAM1 P19320 4/20 0.51
TMIGD3 P0DMS9 2/20 0.35
ADORA1 P30542 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CDK8 P49336 4/20 0.34
CCNC P24863 3/20 0.34
PIM1 P11309 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAP4K2 Q12851 1/20 0.34
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL23093512 0.76 ICAM1 (0.57) SELEICAM1VCAM1CDK8CCNC
SCHEMBL30744177 0.76 ICAM1 (0.57) SELEICAM1VCAM1CDK8CCNC
SCHEMBL5333499 0.76 ICAM1 (0.53) SELEICAM1VCAM1CDK8CCNC
SCHEMBL3708981 0.75 ICAM1 (0.56) SELEICAM1VCAM1CDK8CCNC
SCHEMBL20659865 0.74 SELE (0.46) SELEICAM1VCAM1TMIGD3ADORA1
SCHEMBL20659879 0.71 ICAM1 (0.49) SELEICAM1VCAM1CDK8PIM1
SCHEMBL23109949 0.71 ICAM1 (0.49) SELEICAM1VCAM1CYP2C9CDK8
SCHEMBL7058858 0.68 ICAM1 (1.00) SELEICAM1VCAM1
SCHEMBL24845323 0.68 ICAM1 (0.45) SELEICAM1VCAM1CDK8CCNC
SCHEMBL23522277 0.68 ICAM1 (0.53) SELEICAM1VCAM1CDK8CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019018359-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY (US) 2019-01-24 WO disclosed
US-7384949-B2 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyrimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-06-10 US disclosed
US-20040097524-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-20 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-20040097524-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyimidines and their use as purinergic receptor antagonists CNR1, CNR2, RYR2 SELE 4075/4885ICAM1 4484/4885VCAM1 3536/4885

“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.