SCHEMBL2818111

SCHEMBL2818111

Nc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.60
MAPK13 O15264 5/20 0.60
GCGR P47871 5/20 0.60
MAPK12 P53778 5/20 0.60
MAPK11 Q15759 5/20 0.60
ALOX5 P09917 2/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
FRK P42685 1/20 0.50
MAPK9 P45984 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
GSK3B P49841 1/20 0.50
PTK6 Q13882 1/20 0.50
PRKD2 Q9BZL6 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL1629037 0.81 MAPK13 (0.85) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL16292225 0.81 MAPK13 (0.85) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL27762173 0.80 NPY5R (0.60) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL7139508 0.80 NPY5R (0.60) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL13115559 0.77 MAPK14 (0.60) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL2818304 0.76 MAPK14 (0.56) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL4504351 0.76 MAPK13 (0.59) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL8590446 0.76 MAPT (0.61) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4552316 0.75 MAPK14 (1.00) MAPK14MAPK13GCGRMAPK12MAPK11
Hydrochloric Acid SCHEMBL2818418 0.75 MAPK14 (0.55) MAPK14MAPK13GCGRMAPK12MAPK11

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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
CN-100540538-C High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-16 CN disclosed
CN-101519386-A High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-02 CN disclosed
US-20040127527-A1 Large conductance calcium-activated k channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-01 US disclosed
EP-1432690-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE Tanabe Seiyaku Co., Ltd. (JP) 2004-06-30 EP disclosed
CN-1503786-A High Conductivity Calcium-Activated K Channel Opener ������ҩ��ʽ���� 2004-06-09 CN disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 MAPK14 1232/4885MAPK13 1596/4885GCGR 2072/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 MAPK14 1097/4885MAPK13 1552/4885GCGR 2420/4885

“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.