SCHEMBL1781560

SCHEMBL1781560

CN(C)CCCC(=O)Nc1nc2c(s1)C(O)=C(C(=O)c1ccc(N)nc1)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.36
ACHE P22303 2/20 0.35
P2RX7 Q99572 2/20 0.35
GRIN2B Q13224 1/20 0.35
CYP3A4 P08684 4/20 0.34
CYP2D6 P10635 1/20 0.34
PI4KB Q9UBF8 9/20 0.33
PIK3C2A O00443 2/20 0.33
PIK3C2B O00750 2/20 0.33
STK17A Q9UEE5 2/20 0.33
RPS6KA4 O75676 1/20 0.33
PIK3CD O00329 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DYRK3 O43781 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK9 P50750 1/20 0.32
MAP4K2 Q12851 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1783367 0.87 HCAR3 (0.37) PIK3CAACHEP2RX7GRIN2BPI4KB
SCHEMBL13690398 0.83 PIK3CA (0.43) PIK3CACYP3A4PI4KBPIK3C2APIK3C2B
SCHEMBL1771295 0.79 PIK3CA (0.36) PIK3CAACHEP2RX7GRIN2BCYP3A4
SCHEMBL1117877 0.79 POLB (0.42) PIK3CAPI4KBPIK3CDNPC1RAB9A
SCHEMBL1780133 0.77 HCAR3 (0.39) PIK3CACYP3A4CYP2D6PI4KBPIK3CD
SCHEMBL1783723 0.77 OGA (0.34) PIK3CAPI4KBPIK3CDOGAPIK3CB
SCHEMBL1781189 0.76 RAB9A (0.38) PIK3CAPI4KBPIK3CDNPC1RAB9A
SCHEMBL1117909 0.76 EPHX2 (0.39) PIK3CAPI4KBPIK3CDNPC1RAB9A
SCHEMBL1117938 0.76 HDAC1 (0.40) SMN1; SMN2CDK9MAPT
SCHEMBL4550734 0.74 PIK3CA (0.39) PIK3CAACHEP2RX7GRIN2BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
CN-102015728-A Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INT 2011-04-13 CN disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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 (2 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R PIK3CA 2993/4885ACHE 3566/4885P2RX7 1923/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R PIK3CA 2993/4885ACHE 3566/4885P2RX7 1923/4885

“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.