SCHEMBL3658952

SCHEMBL3658952

CCCn1nccc1B(O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.37
MAPK1 P28482 1/20 0.36
SLC9A1 P19634 1/20 0.33
POLB P06746 1/20 0.33
ADRA1A P35348 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ESR1 P03372 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
DRD2 P14416 3/20 0.30
DRD4 P21917 3/20 0.30
DRD3 P35462 3/20 0.30
HCAR3 P49019 1/20 0.30
ALDH1A1 P00352 2/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL1648042 0.84 MEN1 (0.36) MAPK1POLBLPLLIPGALDH1A1
SCHEMBL15329870 0.80 MAPK1 (0.33) MAPK1POLBALDH1A1
SCHEMBL31375944 0.80 MPO (0.36) MAPK1HCAR3ALDH1A1
SCHEMBL25382537 0.80 UBE2M (0.34) MAPK1
SCHEMBL15331769 0.77
SCHEMBL14653759 0.77 MAPK14 (0.33) MAPK1
SCHEMBL3716606 0.76 GRM2 (0.32) MAPK1GRM2
SCHEMBL23400943 0.75
SCHEMBL323237 0.73
SCHEMBL17654919 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2013-10-31 US disclosed
US-8440673-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
EP-2234976-B1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
EP-2234976-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
WO-2009077367-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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 (3 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-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 NR3C2 710/4885MAPK1 1889/4885SLC9A1 209/4885
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 NR3C2 710/4885MAPK1 1889/4885SLC9A1 209/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 NR3C2 710/4885MAPK1 1889/4885SLC9A1 209/4885

“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.