SCHEMBL17167992

SCHEMBL17167992

COC(=O)c1cnc(Cl)nc1NC1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 11/20 0.47
TYRO3 Q06418 10/20 0.47
GAS6 Q14393 8/20 0.47
FLT3 P36888 7/20 0.47
AXL P30530 4/20 0.46
MAPK8 P45983 8/20 0.46
MAPK9 P45984 6/20 0.45
KMT2A Q03164 1/20 0.43

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
SCHEMBL26930786 1.00 MERTK (0.47) MERTKTYRO3GAS6FLT3AXL
SCHEMBL16435468 1.00 MERTK (0.47) MERTKTYRO3GAS6FLT3AXL
SCHEMBL28533353 0.90 KMT2A (0.55) MERTKAXLMAPK8MAPK9KMT2A
SCHEMBL20354306 0.90 KMT2A (0.51) AXLMAPK8MAPK9KMT2A
SCHEMBL23452672 0.88 NR2F2 (0.53) MERTKTYRO3GAS6FLT3AXL
SCHEMBL30736374 0.88 NR2F2 (0.53) MERTKTYRO3GAS6FLT3AXL
SCHEMBL20329838 0.88 NR2F2 (0.53) MERTKTYRO3GAS6FLT3AXL
SCHEMBL20299341 0.88 NR2F2 (0.53) MERTKTYRO3GAS6FLT3AXL
SCHEMBL14657977 0.85 MAPK8 (0.55) MAPK8MAPK9KMT2A
SCHEMBL30873290 0.85 MAPK8 (0.55) MAPK8MAPK9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019006548-A1 FLUORINATED 2,4-DIAMINOPYRIMIDINE COMPOUNDS AS MER TYROSINE KINASE (MERTK) INHIBITORS AND USES THEREOF TRILLIUM THERAPEUTICS INC. (CA) 2019-01-10 WO disclosed
US-9771330-B2 Pyrimidine compounds for the treatment of cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-09-26 US disclosed
US-9649309-B2 Therapeutic uses of selected pyrimidine compounds with anti-Mer tyrosine kinase activity THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-05-16 US disclosed
US-20150290194-A1 THERAPEUTIC USES OF SELECTED PYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-15 US 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-20150290194-A1 THERAPEUTIC USES OF SELECTED PYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY MERTK, FLT3, TK1 MERTK 1/4885TYRO3 41/4885GAS6 714/4885

“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.