SCHEMBL2080439

SCHEMBL2080439

CC(C)c1ccc(NN)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.40
P2RX7 Q99572 2/20 0.40
GAA P10253 4/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL21377412 0.78 ALDH1A1 (0.53) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL7687653 0.77 P2RX4 (0.39) P2RX4P2RX7GAALMNANPC1
SCHEMBL14446436 0.77 P2RX4 (0.36) P2RX4P2RX7GAAALDH1A1ALOX12
SCHEMBL14347188 0.77 P2RX4 (0.44) P2RX4P2RX7GAAALDH1A1ALOX12
SCHEMBL5622037 0.77 P2RX4 (0.44) P2RX4P2RX7GAAALDH1A1ALOX12
SCHEMBL10618408 0.76 CA1 (0.46) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL5470265 0.76 P2RX4 (0.40) P2RX4P2RX7GAALMNAMAPT
SCHEMBL5470271 0.76 P2RX4 (0.40) P2RX4P2RX7GAALMNAMAPT
Hydrochloric Acid SCHEMBL5434085 0.75 P2RX4 (0.43) P2RX4P2RX7GAAALDH1A1ALOX12
Hydrochloric Acid SCHEMBL20820088 0.74 CA1 (0.44) GAAALDH1A1ALOX12HTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007773-B1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-2007773-B1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
US-7902183-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-08 US disclosed
US-7902183-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-08 US disclosed
US-7902183-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-08 US disclosed
CN-101443335-A Thiazolyl dihydro-indazoles BOEHRINGER INGELHEIM INT (DE) 2009-05-27 CN disclosed
EP-2007773-A1 THIAZOLYL DIHYDRO-INDAZOLES Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
US-20070270401-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 US disclosed
US-20070270401-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 US disclosed
US-20070270401-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 US disclosed
WO-2007113245-A1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 WO disclosed
WO-2007113245-A1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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-20070270401-A1 Thiazolyl-Dihydro-Indazole MKI67, INSR, CCNT1 P2RX4 2283/4885P2RX7 1596/4885GAA 1130/4885

“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.