SCHEMBL16398173

SCHEMBL16398173

CNc1cc(COCC2CC2)nc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ NUDT1 P36639 1/20 0.30
▸ ADORA2A P29274 1/20 0.30

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
SCHEMBL16398008 0.80 HTR2A (0.34) HTR2AHTR2CHTR2BDRD2DRD4
SCHEMBL19461932 0.77 MEN1 (0.39) NPC1RAB9ASMN1; SMN2ESR1NUDT1
SCHEMBL16398232 0.75 NPC1 (0.33) NPC1RAB9ASMN1; SMN2ESR1
SCHEMBL16398389 0.74 HTR2A (0.34) HTR2AHTR2CHTR2BFFAR4
SCHEMBL16397920 0.72 CHRM3 (0.37) HTR2AHTR2CHTR2BDRD2DRD4
SCHEMBL16398386 0.72 HTR2A (0.31) HTR2AHTR2CHTR2BDRD2DRD4
SCHEMBL27859177 0.72 NPC1 (0.34) NPC1RAB9ASMN1; SMN2ESR1
SCHEMBL16398384 0.71 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL23588568 0.71 ESR1 (0.40) NPC1RAB9ASMN1; SMN2ESR1NUDT1
SCHEMBL16398055 0.69 IDH1 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004079-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS ACTURUM REAL ESTATE AB (SE) 2018-01-17 — — EP disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 — — US disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 — — US disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 — — US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 — — US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 — — US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 — — US disclosed
EP-3004079-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-04-13 — — EP disclosed
WO-2014195323-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2014-12-11 — — 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-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APP HTR2A 2603/4885HTR2C 3436/4885HTR2B 2913/4885

“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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