SCHEMBL1309730

SCHEMBL1309730

c1ccc2c(c1)oc1c(N3CCOCC3)nc(-c3cncnc3)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
MAPK1 P28482 2/20 0.64
TSHR P16473 5/20 0.60
PIK3CA P42336 9/20 0.57
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PIK3R1 P27986 2/20 0.52
MTOR P42345 2/20 0.52
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PIK3C2B O00750 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
PIK3CD O00329 1/20 0.49
PIK3C2A O00443 1/20 0.49
CHUK O15111 1/20 0.49

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
SCHEMBL1309789 0.89 ALDH1A1 (0.65) LMNAMAPK1TSHRPIK3CAKDM4E
SCHEMBL1311623 0.87 PIK3CA (0.66) LMNAMAPK1TSHRPIK3CAKDM4E
SCHEMBL1311667 0.84 LMNA (0.64) LMNAMAPK1TSHRPIK3CAKDM4E
SCHEMBL1311960 0.84 LMNA (0.60) LMNAMAPK1TSHRPIK3CAKDM4E
SCHEMBL1311958 0.84 LMNA (0.60) LMNAMAPK1TSHRPIK3CAKDM4E
SCHEMBL1311609 0.83 LMNA (0.59) LMNAMAPK1TSHRPIK3CAKDM4E
SCHEMBL1309959 0.82 PIK3CA (0.61) LMNAMAPK1TSHRPIK3CAKDM4E
SCHEMBL1308774 0.81 PIK3CA (0.73) LMNAMAPK1TSHRPIK3CAKDM4E
SCHEMBL15374748 0.81 LMNA (0.67) LMNAMAPK1TSHRPIK3CAKDM4E
SCHEMBL1310077 0.79 LMNA (0.55) LMNAMAPK1TSHRPIK3CAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
WO-2010052569-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2010-05-14 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-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD LMNA 2709/4885MAPK1 216/4885TSHR 2112/4885

“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.