SCHEMBL3678075

SCHEMBL3678075

OCC1CCCN1c1nc(-c2ccco2)c2scc(Br)c2n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.51
ADORA2A P29274 6/20 0.44
ADORA1 P30542 6/20 0.44
ADORA3 P0DMS8 5/20 0.44
ADORA2B P29275 2/20 0.44
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NR1I2 O75469 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK1 P06493 2/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL3678077 1.00 ACVR1 (0.51) ACVR1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL13283701 0.87 ACVR1 (0.38) ACVR1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3681987 0.82 ADORA2A (0.66) ACVR1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3681985 0.82 ADORA2A (0.66) ACVR1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL14002320 0.75 ACVR1 (0.42) ACVR1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL13668447 0.73 ADORA2A (0.50) ACVR1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3673576 0.69 PIK3R1 (0.45) ADORA2AADORA1PIK3R1PIK3CA
SCHEMBL3676985 0.69 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2BPIK3R1
SCHEMBL20589159 0.68 ACVR1 (1.00) ACVR1
SCHEMBL20589604 0.68 ACVR1 (1.00) ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
EP-1349861-B1 THIENO(3,2-d)PYRIMIDINES AND FURANO(3,2-d)PYRIMIDINES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-09-10 EP disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US 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

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-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES HIF1AN, HIF1A, EGLN3 ACVR1 316/4885ADORA2A 6/4885ADORA1 15/4885
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists CHRNA5, HTR5A, CHRNA6 ACVR1 2369/4885ADORA2A 6/4885ADORA1 37/4885

“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.