SCHEMBL21902996

SCHEMBL21902996

O=Cc1cnc(Oc2ccc(Cl)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ LMNA P02545 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ SCN9A Q15858 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL21901753 0.82 ALDH1A1 (0.66) SMN1; SMN2KDM4EALDH1A1LMNAMEN1
SCHEMBL16761948 0.82 KDM4E (0.66) SMN1; SMN2KDM4EALDH1A1LMNANPSR1
SCHEMBL2834496 0.81 ALDH1A1 (0.59) SMN1; SMN2KDM4EALDH1A1LMNAMEN1
SCHEMBL6142793 0.79 ALDH1A1 (0.71) SMN1; SMN2KDM4EALDH1A1LMNAMEN1
SCHEMBL30703390 0.79 ALDH1A1 (0.71) SMN1; SMN2KDM4EALDH1A1LMNAMEN1
SCHEMBL2267829 0.77 HSD17B10 (0.73) SMN1; SMN2KDM4EALDH1A1LMNANPSR1
SCHEMBL22404982 0.76 NPSR1 (0.57) SMN1; SMN2LMNANPSR1MEN1KMT2A
SCHEMBL6509007 0.76 NPSR1 (0.57) SMN1; SMN2KDM4EALDH1A1NPSR1MEN1
SCHEMBL21901796 0.74 GRIN2B (0.44) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL4598308 0.74 ALDH1A1 (0.58) SMN1; SMN2KDM4EALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867245-B1 4-PYRIMIDIN-5-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2022-12-07 — — EP disclosed
US-20200123140-A1 4-Pyrimidin-5-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-23 — — US disclosed
WO-2020079040-A1 4-PYRIMIDIN-5-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 — — 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-20200123140-A1 4-Pyrimidin-5-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2C, GRIN2A, GRIN3A SMN1; SMN2 1214/4885KDM4E 507/4885ALDH1A1 901/4885

“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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