SCHEMBL216305

SCHEMBL216305

CC(=O)Nc1nc(C)c(C)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 2/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
GDA Q9Y2T3 1/20 0.42
HTR6 P50406 4/20 0.39
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR3 P22607 1/20 0.37
ALPL P05186 1/20 0.37
DRD2 P14416 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL24802600 0.79 ADORA3 (0.56) ALDH1A1POLBALOX15TDP1LMNA
SCHEMBL8016483 0.72 HTR6 (0.57) ALDH1A1POLBALOX15LMNAADORA3
SCHEMBL4069624 0.71 POLB (0.48) ALDH1A1POLBALOX15TDP1LMNA
SCHEMBL4069622 0.71 KMT2A (0.40) ALDH1A1POLBALOX15TDP1LMNA
SCHEMBL8009176 0.70 HTR6 (0.49) ALDH1A1POLBALOX15TDP1LMNA
SCHEMBL8012319 0.70 HTR6 (0.47) ALDH1A1POLBALOX15TDP1LMNA
SCHEMBL13287240 0.69 KDM4E (0.47) ALDH1A1POLBALOX15TDP1LMNA
SCHEMBL16639430 0.68 ADORA3 (0.54) ALDH1A1POLBALOX15TDP1LMNA
SCHEMBL12555392 0.68 ALDH1A1 (0.48) ALDH1A1POLBALOX15TDP1LMNA
SCHEMBL4530081 0.68 HTR6 (0.61) ALDH1A1POLBALOX15LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885POLB 3464/4885ALOX15 2417/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 ALDH1A1 2094/4885POLB 1660/4885ALOX15 4393/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 ALDH1A1 2331/4885POLB 1971/4885ALOX15 4291/4885

“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.