SCHEMBL6446153

SCHEMBL6446153

N#Cc1c(NCc2ncc(C(F)(F)F)cc2Cl)cc(N)nc1-c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.38
ADORA1 P30542 8/20 0.38
ADORA2B P29275 3/20 0.38
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
PIP4K2A P48426 1/20 0.37
PIK3CG P48736 1/20 0.37
HPGD P15428 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.34
SMARCA2 P51531 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
SCHEMBL5041750 0.86 ADORA2A (0.44) ADORA2AADORA1ADORA2BP2RX3P2RX2
SCHEMBL5044329 0.82 KDM4E (0.43) ADORA2AADORA1ADORA2BPIP4K2APIK3CG
SCHEMBL6441873 0.77 ADORA2A (0.53) ADORA2AADORA1ADORA2BHPGDKDM4E
SCHEMBL6441017 0.76 ADORA2A (0.51) ADORA2AADORA1ADORA2BHPGDSMN1; SMN2
SCHEMBL6442392 0.75 ADORA2A (0.46) ADORA2AADORA1ADORA2BHPGDKDM4E
SCHEMBL5040419 0.75 ADORA2A (0.48) ADORA2AADORA1ADORA2BHPGDKDM4E
SCHEMBL5040165 0.74 ALDH1A1 (0.41) ADORA2AADORA1ADORA2BHPGDKDM4E
SCHEMBL6441055 0.74 ADORA2A (0.52) ADORA2AADORA1ADORA2BHPGDSMN1; SMN2
SCHEMBL6444797 0.71 P2RX3 (0.40) ADORA2AADORA1P2RX3P2RX2HPGD
SCHEMBL6443503 0.71 P2RX3 (0.38) P2RX3P2RX2SMN1; SMN2KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525215-A1 PROGESTERONE RECEPTOR MODULATORS HAVING AN INCREASED ANTIGONADOTROPIC ACTIVITY FOR USE IN FEMALE FERTILITY TESTING AND HORMONE REPLACEMENT THERAPY Schering Aktiengesellschaft (DE) 2005-04-27 EP claimed
WO-2004014935-A1 PROGESTERONE RECEPTOR MODULATORS HAVING AN INCREASED ANTIGONADOTROPIC ACTIVITY FOR USE IN FEMALE FERTILITY TESTING AND HORMONE REPLACEMENT THERAPY SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-19 WO claimed
EP-1525215-A1 PROGESTERONE RECEPTOR MODULATORS HAVING AN INCREASED ANTIGONADOTROPIC ACTIVITY FOR USE IN FEMALE FERTILITY TESTING AND HORMONE REPLACEMENT THERAPY Schering Aktiengesellschaft (DE) 2005-04-27 EP disclosed
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
WO-2004014935-A1 PROGESTERONE RECEPTOR MODULATORS HAVING AN INCREASED ANTIGONADOTROPIC ACTIVITY FOR USE IN FEMALE FERTILITY TESTING AND HORMONE REPLACEMENT THERAPY SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-19 WO 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
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

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 ADORA2A 1/4885ADORA1 3/4885ADORA2B 2/4885

“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.