SCHEMBL1518951

SCHEMBL1518951

O=C1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)N1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 5/20 0.67
▸ MAPK10 P53779 10/20 0.64
▸ MAPK8 P45983 9/20 0.64
▸ MAPK14 Q16539 4/20 0.64
▸ PIP5K1C O60331 5/20 0.61
▸ PIK3CA P42336 5/20 0.61
▸ PIP5K1B O14986 2/20 0.61
▸ PIP5K1A Q99755 2/20 0.61
▸ ACVRL1 P37023 1/20 0.57
▸ PIK3CD O00329 1/20 0.50
▸ PDGFRB P09619 1/20 0.50
▸ PIK3CB P42338 1/20 0.50
▸ PI4KA P42356 1/20 0.50
▸ PIK3CG P48736 1/20 0.50
▸ PDK1 Q15118 1/20 0.50
▸ PI4KB Q9UBF8 1/20 0.50

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
SCHEMBL1518953 1.00 BUB1 (0.67) BUB1MAPK10MAPK8MAPK14PIP5K1C
SCHEMBL6037743 0.92 MAPK10 (0.80) BUB1MAPK10MAPK8MAPK14PIP5K1C
SCHEMBL6037741 0.92 MAPK10 (0.80) BUB1MAPK10MAPK8MAPK14PIP5K1C
SCHEMBL1519020 0.82 MAPK10 (0.76) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL5809662 0.81 MAPK10 (0.65) BUB1MAPK10MAPK8MAPK14PIP5K1C
SCHEMBL17372275 0.81 BUB1 (1.00) BUB1
SCHEMBL17372361 0.81 BUB1 (1.00) BUB1
SCHEMBL17379625 0.81 BUB1 (1.00) BUB1
SCHEMBL16392028 0.80 BUB1 (0.53) BUB1
SCHEMBL1518956 0.80 MAPK10 (0.78) BUB1MAPK10MAPK8MAPK14PIP5K1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 — — WO claimed
US-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 — — US disclosed
US-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 — — US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 — — US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 — — US disclosed
US-20060223807-A1 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL, A MASSACHUSETTS CORPORATION (US) 2006-10-05 — — US disclosed
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 — — WO disclosed
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 — — 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 (3 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-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 BUB1 4279/4885MAPK10 12/4885MAPK8 25/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 BUB1 4279/4885MAPK10 12/4885MAPK8 25/4885
US-20060223807-A1 Therapeutic methods for type I diabetes MAPK9, IAPP, RNASE1 BUB1 4279/4885MAPK10 12/4885MAPK8 25/4885

“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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