SCHEMBL4471667

SCHEMBL4471667

O=C(CCc1ccncc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
ALDH1A1 P00352 4/20 0.63
POLB P06746 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
MAPK1 P28482 2/20 0.63
MPI P34949 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GSK3B P49841 1/20 0.53
MMP13 P45452 1/20 0.52
CYP19A1 P11511 1/20 0.51
NOS1 P29475 1/20 0.49
MITF O75030 1/20 0.48
TSHR P16473 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL6693908 0.87 ALDH1A1 (0.51) MAPTALDH1A1POLBL3MBTL1MAPK1
SCHEMBL4489396 0.83 NAMPT (0.54) MAPTALDH1A1POLBL3MBTL1MAPK1
SCHEMBL1304505 0.82 RAB9A (0.64) MAPTALDH1A1POLBL3MBTL1MAPK1
SCHEMBL522192 0.81 ALDH1A1 (0.64) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL6632472 0.80 POLB (0.79) MAPTALDH1A1POLBL3MBTL1MAPK1
SCHEMBL240086 0.80 GSK3B (0.71) ALDH1A1L3MBTL1MAPK1TDP1GSK3B
SCHEMBL1304544 0.79 MAPT (0.68) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10996059 0.78 MAPT (0.56) MAPTALDH1A1POLBL3MBTL1MAPK1
SCHEMBL11401029 0.77 POLB (0.73) MAPTALDH1A1POLBL3MBTL1KDM4E
SCHEMBL4603533 0.77 CYP1A2 (0.61) MAPTALDH1A1L3MBTL1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 EP disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 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 (4 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPT 3255/4885ALDH1A1 1463/4885POLB 3026/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 MAPT 2789/4885ALDH1A1 2048/4885POLB 2436/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPT 3255/4885ALDH1A1 1463/4885POLB 3026/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPT 3162/4885ALDH1A1 1559/4885POLB 3356/4885

“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.