SCHEMBL16094448

SCHEMBL16094448

CSc1ncc(C=CC(=O)O)c(NC2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.46
PPARG P37231 1/20 0.42
SYK P43405 6/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GABBR2 O75899 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
PIM2 Q9P1W9 2/20 0.36
PDE4B Q07343 1/20 0.36
PIM1 P11309 1/20 0.35
SRC P12931 1/20 0.35
NTRK1 P04629 1/20 0.34
HCAR3 P49019 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK8 P45983 1/20 0.33

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
SCHEMBL4715183 0.95 MEN1 (0.45) MERTKPPARGSYKMEN1KMT2A
SCHEMBL16094781 0.94 KMT2A (0.44) MERTKPPARGSYKMEN1KMT2A
SCHEMBL16094770 0.85 MEN1 (0.45) MERTKPPARGSYKMEN1KMT2A
SCHEMBL16120485 0.85 MEN1 (0.45) MERTKPPARGSYKMEN1KMT2A
SCHEMBL4711389 0.83 ALDH1A1 (0.43) MERTKPPARGSYKMEN1KMT2A
SCHEMBL4715139 0.83 ALDH1A1 (0.43) MERTKPPARGSYKMEN1KMT2A
SCHEMBL14914395 0.83 KMT2A (0.43) MERTKPPARGSYKMEN1KMT2A
SCHEMBL14914394 0.83 KMT2A (0.43) MERTKPPARGSYKMEN1KMT2A
SCHEMBL30872620 0.83 KMT2A (0.43) MERTKPPARGSYKMEN1KMT2A
SCHEMBL4712409 0.82 MEN1 (0.44) SYKMEN1KMT2ANTRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 US claimed
EP-2968331-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2016-01-20 EP claimed
WO-2014151682-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-09-25 WO claimed
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 EP disclosed
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 EP disclosed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 EP disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 US disclosed
EP-2968331-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2016-01-20 EP disclosed
WO-2014151682-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-09-25 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-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS DCK, TK1, DTYMK MERTK 809/4885PPARG 1982/4885SYK 1391/4885

“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.