SCHEMBL16429174

SCHEMBL16429174

CSc1ncc(Br)c(N[C@H]2CC[C@H](O)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 8/20 0.60
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
TYRO3 Q06418 7/20 0.40
FLT3 P36888 4/20 0.40
GAS6 Q14393 4/20 0.40
PPARG P37231 1/20 0.40
AXL P30530 3/20 0.39
MEN1 O00255 1/20 0.38
GABBR2 O75899 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38

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
SCHEMBL16429175 1.00 MERTK (0.60) MERTKGSK3AGSK3BJAK1TYK2
SCHEMBL4065318 0.87 KMT2A (0.50) MERTKJAK1TYK2AXLMEN1
SCHEMBL29991645 0.87 KMT2A (0.50) MERTKJAK1TYK2AXLMEN1
SCHEMBL26930678 0.82 MERTK (0.59) MERTKTYRO3FLT3GAS6PPARG
SCHEMBL26930671 0.82 MERTK (0.59) MERTKTYRO3FLT3GAS6PPARG
SCHEMBL31585685 0.81 GSK3A (0.45) MERTKGSK3AGSK3BJAK1TYK2
SCHEMBL26931042 0.80 MERTK (0.57) MERTKTYRO3FLT3GAS6PPARG
SCHEMBL26931049 0.80 MERTK (0.57) MERTKTYRO3FLT3GAS6PPARG
SCHEMBL23364910 0.78 JAK1 (0.58) MERTKGSK3AGSK3BJAK1TYK2
SCHEMBL19763688 0.78 JAK1 (0.58) MERTKGSK3AGSK3BJAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235925-A1 COMPOUNDS WITH MERTK ACTIVITY MONASH UNIVERSITY (AU) 2023-12-14 WO disclosed
WO-2023235925-A1 COMPOUNDS WITH MERTK ACTIVITY MONASH UNIVERSITY (AU) 2023-12-14 WO 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-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 1/4885GSK3A 1312/4885GSK3B 1202/4885
US-20150038481-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER DPYD, TYMP, TYMS MERTK 2234/4885GSK3A 3087/4885GSK3B 2430/4885

“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.