SCHEMBL16435447

SCHEMBL16435447

CCCCNc1ncc(C(=O)NCCCN2CCOCC2)c(NCCCC)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 19/20 1.00
▸ TYRO3 Q06418 9/20 1.00
▸ GAS6 Q14393 8/20 1.00
▸ FLT3 P36888 6/20 0.57
▸ AXL P30530 3/20 0.56

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
SCHEMBL34462305 0.90 MERTK (0.81) MERTKTYRO3GAS6FLT3AXL
SCHEMBL16438286 0.88 MERTK (1.00) MERTKTYRO3GAS6FLT3AXL
SCHEMBL16435453 0.88 MERTK (1.00) MERTKTYRO3GAS6FLT3AXL
SCHEMBL34462333 0.86 MERTK (0.76) MERTKTYRO3GAS6FLT3
SCHEMBL16435504 0.83 MERTK (1.00) MERTKTYRO3GAS6FLT3AXL
SCHEMBL16435419 0.78 MERTK (1.00) MERTKTYRO3AXL
SCHEMBL4763540 0.74 MERTK (0.59) MERTKTYRO3GAS6
SCHEMBL16435508 0.74 MERTK (1.00) MERTKTYRO3GAS6FLT3AXL
SCHEMBL16438297 0.74 MERTK (1.00) MERTKTYRO3GAS6FLT3AXL
SCHEMBL16435414 0.73 MERTK (0.92) MERTKTYRO3AXL

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-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-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-9567326-B2 Pyrimidine compounds for the treatment of cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-02-14 — — US disclosed
US-9567326-B2 Pyrimidine compounds for the treatment of cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-02-14 — — 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
WO-2015157127-A1 THERAPUETIC USES OF SELECTED PYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-15 — — WO 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
US-20150038481-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-05 — — US disclosed
US-20150038481-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-05 — — 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 (2 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
US-20150038481-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER DPYD, TYMP, TYMS MERTK 2234/4885TYRO3 845/4885GAS6 2684/4885

“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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