SCHEMBL10244871

SCHEMBL10244871

Cc1ccc(-c2cc(C(=O)NCc3ccncc3)cc(-n3nnnc3C(C)C)c2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.51
KDM1A O60341 3/20 0.51
P2RX3 P56373 5/20 0.45
P2RX2 Q9UBL9 5/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
AKR1C3 P42330 2/20 0.42
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
AKR1C4 P17516 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
MMP13 P45452 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 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
SCHEMBL10244683 0.90 KDM1A (0.48) HDAC1KDM1AP2RX3P2RX2GAA
SCHEMBL18166455 0.87 FAAH (0.42) HDAC1KDM1ASMN1; SMN2LMNARECQL
SCHEMBL10244650 0.86 P2RX3 (0.48) HDAC1KDM1AP2RX3P2RX2SMN1; SMN2
SCHEMBL10244895 0.86 P2RX3 (0.47) HDAC1KDM1AP2RX3P2RX2CYP3A4
SCHEMBL10244488 0.85 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL10244375 0.83 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL4324315 0.82 P2RX3 (0.40) HDAC1KDM1AP2RX3P2RX2AKR1C3
SCHEMBL10244380 0.81 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL10244247 0.81 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL10244716 0.80 P2RX3 (0.48) P2RX3P2RX2AKR1C3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 US disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 US disclosed
US-8846945-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists DILLON MICHAEL PATRICK (US) 2014-09-30 US disclosed
US-8846945-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists DILLON MICHAEL PATRICK (US) 2014-09-30 US disclosed
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK (US) 2012-08-23 US disclosed
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK (US) 2012-08-23 US disclosed
US-8193368-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-06-05 US disclosed
US-8193368-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-06-05 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 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 (6 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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 HDAC1 2150/4885KDM1A 3064/4885P2RX3 2/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 HDAC1 1495/4885KDM1A 2777/4885P2RX3 1/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 HDAC1 2164/4885KDM1A 3047/4885P2RX3 2/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 HDAC1 1495/4885KDM1A 2777/4885P2RX3 1/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 HDAC1 1495/4885KDM1A 2777/4885P2RX3 1/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 HDAC1 1495/4885KDM1A 2777/4885P2RX3 1/4885

“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.