SCHEMBL6444686

SCHEMBL6444686

N#Cc1c(NCc2ncc(C(F)(F)F)cc2Cl)nc(N)nc1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 6/20 0.41
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.36
PIK3R2 O00459 1/20 0.36
METAP1 P53582 2/20 0.36
CBFB Q13951 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL6440567 0.88 ADORA1 (0.46) P2RX3P2RX2KMT2A
SCHEMBL5041750 0.83 ADORA2A (0.44) SMN1; SMN2P2RX3P2RX2KMT2AKDM4E
SCHEMBL6444939 0.82 APP (0.53) PIK3CDKDM4EALDH1A1APP
SCHEMBL6443503 0.81 P2RX3 (0.38) RAB9ASMN1; SMN2P2RX3P2RX2KMT2A
SCHEMBL6444797 0.81 P2RX3 (0.40) RAB9AMAPK1SMN1; SMN2P2RX3P2RX2
SCHEMBL6442124 0.78 P2RX3 (0.41) SMN1; SMN2PIK3CDP2RX3P2RX2KMT2A
SCHEMBL6445919 0.76 HIF1A (0.51) NPC1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL6446516 0.73 METAP1 (0.48) SMN1; SMN2PIK3CDKDM4EMETAP1ALDH1A1
SCHEMBL6443145 0.72 HIF1A (0.56) NPC1PIK3CDKMT2AKDM4EMEN1
SCHEMBL6446153 0.69 ADORA2A (0.38) SMN1; SMN2P2RX3P2RX2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 RAB9A 1689/4885NPC1 2213/4885MAPK1 4100/4885

“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.