SCHEMBL7301884

SCHEMBL7301884

CC(C)(C)c1ccc(C(=O)Nc2cccc(N)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.74
KCNK9 Q9NPC2 1/20 0.73
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
KCNK3 O14649 1/20 0.66
HDAC3 O15379 2/20 0.65
HDAC8 Q9BY41 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NR1H4 Q96RI1 2/20 0.63
TP53 P04637 2/20 0.63
MAPT P10636 2/20 0.63
THRB P10828 1/20 0.63
LMNA P02545 1/20 0.63
NFKB1 P19838 1/20 0.63

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
SCHEMBL15651649 0.90 PTGS1 (0.76) PTGS1KCNK9CA1CA2KCNK3
SCHEMBL29568808 0.89 PTGS1 (0.79) PTGS1KCNK9KCNK3RAB9ASMN1; SMN2
SCHEMBL8399784 0.89 PTGS1 (0.79) PTGS1KCNK9KCNK3RAB9ASMN1; SMN2
SCHEMBL5228698 0.89 NR1H4 (0.77) PTGS1KCNK9SMN1; SMN2NR1H4TP53
SCHEMBL21588759 0.88 PTGS1 (0.72) PTGS1KCNK9CA1CA2KCNK3
SCHEMBL15149769 0.86 PTGS1 (0.56) PTGS1KCNK9CA1CA2KCNK3
SCHEMBL2344887 0.86 SMN1; SMN2 (0.56) PTGS1KCNK9CA1CA2RAB9A
SCHEMBL29672230 0.85 PTGS1 (0.74) PTGS1KCNK9CA1CA2KCNK3
SCHEMBL927121 0.85 PTGS1 (0.74) PTGS1KCNK9CA1CA2KCNK3
SCHEMBL15650654 0.85 PTGS1 (0.65) PTGS1KCNK9CA1CA2KCNK3

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
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
WO-2015151006-A1 SUBSTITUTED PURINE COMPOUNDS AS BTK INHIBITORS LUPIN LIMITED (IN) 2015-10-08 WO disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP 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 (4 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PTGS1 2100/4885KCNK9 404/4885CA1 4834/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PTGS1 2100/4885KCNK9 404/4885CA1 4834/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PTGS1 1996/4885KCNK9 439/4885CA1 4820/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PTGS1 1996/4885KCNK9 439/4885CA1 4820/4885

“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.