SCHEMBL1310071

SCHEMBL1310071

CC1CCCCN1c1nc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ AR P10275 8/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PIK3CA P42336 3/20 0.40
▸ MTOR P42345 3/20 0.40
▸ PIK3R1 P27986 2/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL1309915 0.81 AR (0.59) MAPK1ARNPC1RAB9ASMN1; SMN2
SCHEMBL1308564 0.81 AR (0.53) MAPK1ARNPC1RAB9ASMN1; SMN2
SCHEMBL1308987 0.80 AR (0.58) MAPK1ARNPC1RAB9ASMN1; SMN2
SCHEMBL1310543 0.80 AR (0.64) MAPK1ARNPC1RAB9ASMN1; SMN2
SCHEMBL1309911 0.80 AR (0.46) MAPK1ARNPC1RAB9ASMN1; SMN2
SCHEMBL1309254 0.80 MAPK1 (0.51) MAPK1NPSR1MAPTLMNAPIK3CA
SCHEMBL1310137 0.77 NPSR1 (0.48) MAPK1NPSR1PIK3CAMTORPIK3R1
SCHEMBL1311737 0.76 AR (0.56) MAPK1NPSR1ARNPC1RAB9A
SCHEMBL1309443 0.73 PIK3CA (0.50) MAPK1ARNPC1RAB9ASMN1; SMN2
SCHEMBL1309525 0.71 AR (0.44) MAPK1ARNPC1RAB9ASMN1; SMN2

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
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

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 MAPK1 216/4885NPSR1 1950/4885AR 2154/4885

“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.

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