SCHEMBL3680276

SCHEMBL3680276

Clc1nc(-c2ccccn2)c2sccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.64
ADORA2A P29274 9/20 0.64
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 1/20 0.41
METAP1 P53582 2/20 0.41
SLC2A1 P11166 1/20 0.41
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3681163 0.82 ADORA1 (0.68) ADORA1ADORA2AKDM4ENPC1SLC2A1
SCHEMBL3684967 0.81 ADORA2A (0.65) ADORA1ADORA2ANPC1AXLMKNK1
SCHEMBL3678085 0.78 ADORA1 (0.64) ADORA1ADORA2AKDM4ENPC1SLC2A1
SCHEMBL3684919 0.78 ADORA1 (1.00) ADORA1ADORA2AKDM4ENPC1
SCHEMBL3676111 0.78 ADORA2A (1.00) ADORA1ADORA2AKDM4ENPC1
SCHEMBL3673552 0.78 ADORA2A (0.64) ADORA1ADORA2AKDM4EAXLMKNK1
SCHEMBL4740163 0.77 METAP1 (0.60) ADORA1ADORA2AKDM4ENPC1METAP1
SCHEMBL3680173 0.77 ADORA2A (0.67) ADORA1ADORA2AKDM4ENPC1CCR1
SCHEMBL3679573 0.76 ADORA1 (1.00) ADORA1ADORA2AAXLMKNK1MKNK2
SCHEMBL3681709 0.76 ADORA1 (0.57) ADORA1ADORA2AKDM4ENPC1METAP1

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 10 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
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US disclosed
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-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-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
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-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 ADORA1 15/4885ADORA2A 6/4885KDM4E 1452/4885
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists CHRNA5, HTR5A, CHRNA6 ADORA1 37/4885ADORA2A 6/4885KDM4E 3138/4885

“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.