SCHEMBL3542972

SCHEMBL3542972

COc1cc(C(=O)NCCN2CCCC2)ccc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ POLB P06746 1/20 0.64
▸ KMT2A Q03164 1/20 0.63
▸ HTR4 Q13639 2/20 0.61
▸ SLC5A7 Q9GZV3 1/20 0.60
▸ PLD2 O14939 1/20 0.60
▸ PLD1 Q13393 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.57
▸ F10 P00742 1/20 0.56
▸ SLC29A1 Q99808 1/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ GLA P06280 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTR1A P08908 1/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ DRD2 P14416 1/20 0.53

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
SCHEMBL13575582 0.99 SMN1; SMN2 (0.67) SMN1; SMN2POLBKMT2AHTR4SLC5A7
SCHEMBL13175532 0.98 SMN1; SMN2 (0.65) SMN1; SMN2POLBKMT2AHTR4SLC5A7
SCHEMBL12427422 0.93 SLC29A1 (0.66) SMN1; SMN2POLBKMT2AHTR4SLC5A7
SCHEMBL12426657 0.92 SLC29A1 (0.65) SMN1; SMN2POLBKMT2AHTR4F10
SCHEMBL12426361 0.92 KMT2A (0.65) SMN1; SMN2POLBKMT2AHTR4SLC5A7
SCHEMBL12427419 0.91 HTR4 (0.65) SMN1; SMN2POLBKMT2AHTR4SLC5A7
SCHEMBL3543383 0.90 CYP2C9 (0.71) POLBKMT2AHTR4PLD2PLD1
SCHEMBL14924433 0.86 SMN1; SMN2 (0.70) SMN1; SMN2POLBKMT2ASLC5A7NPSR1
SCHEMBL14452318 0.85 SMN1; SMN2 (0.52) SMN1; SMN2POLBKMT2AHTR4SLC5A7
SCHEMBL12427360 0.85 CYP2D6 (0.64) SMN1; SMN2KMT2AHTR4PLD2PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585470-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2017-01-25 — — EP disclosed
EP-2975042-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-01-20 — — EP disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 — — US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 — — WO disclosed
WO-2009130016-A1 DIHYDROPTERIDINONES AS PLK INHIBITORS GPC BIOTECH AG (DE) 2009-10-29 — — WO disclosed
EP-2112152-A1 Dihydropteridinones as Plk Inhibitors GPC Biotech AG (DE) 2009-10-28 — — EP disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — WO disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 — — EP disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 — — WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 — — WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 — — WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 — — US disclosed
WO-2007095188-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-23 — — 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 SMN1; SMN2 1059/4885POLB 3906/4885KMT2A 4680/4885

“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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