SCHEMBL14738614

SCHEMBL14738614

CC(C)(C)NC(=O)OC1CCC(CBr)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
NAAA Q02083 1/20 0.37
DPP4 P27487 2/20 0.36
CCNE1 P24864 13/20 0.34
CDK2 P24941 13/20 0.34
GSK3B P49841 8/20 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
SCHEMBL14738613 1.00 EPHX1 (0.38) EPHX1NAAADPP4CCNE1CDK2
SCHEMBL7815595 0.86 EPHX1 (0.42) EPHX1DPP4CCNE1CDK2GSK3B
SCHEMBL27590173 0.85 EPHX1 (0.39) EPHX1NAAADPP4CCNE1CDK2
SCHEMBL3693380 0.85 EPHX1 (0.39) EPHX1NAAADPP4CCNE1CDK2
Methane SCHEMBL27968861 0.84 EPHX1 (0.41) EPHX1DPP4CCNE1CDK2GSK3B
SCHEMBL5162097 0.83 PLG (0.39) EPHX1NAAADPP4CCNE1CDK2
SCHEMBL28310773 0.83 NAAA (0.40) EPHX1NAAADPP4CCNE1CDK2
SCHEMBL5162091 0.83 PLG (0.39) EPHX1NAAADPP4CCNE1CDK2
SCHEMBL27593036 0.82 NAAA (0.39) EPHX1NAAADPP4CCNE1CDK2
SCHEMBL27891234 0.82 EPHX1 (0.37) EPHX1NAAADPP4CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107793360-A Indoleamine 2,3 dioxygenase inhibitors and application 南京药捷安康生物科技有限公司 2018-03-13 CN disclosed
US-9744172-B2 Pyrazolopyrimidine compounds for the treatment of cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-08-29 US disclosed
US-9555030-B2 Therapeutic uses of selected pyrazolopyrimidine compounds with anti-Mer tyrosine kinase activity THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-01-31 US disclosed
US-20160279132-A1 PYRAZOLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-29 US disclosed
US-9290499-B2 Pyrazolopyrimidine compounds for the treatment of cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-03-22 US disclosed
US-20150290212-A1 THERAPEUTIC USES OF SELECTED PYRAZOLOPYRIMIDINE 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-20130059836-A1 PYRAZOLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-03-07 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 (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-20160279132-A1 PYRAZOLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER DPYD, TP53, TYMP EPHX1 1579/4885NAAA 4533/4885DPP4 888/4885
US-20150290212-A1 THERAPEUTIC USES OF SELECTED PYRAZOLOPYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY MERTK, TK1, FLT3 EPHX1 2940/4885NAAA 4326/4885DPP4 1323/4885
US-20130059836-A1 PYRAZOLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER DPYD, TYMP, TP53 EPHX1 1534/4885NAAA 4580/4885DPP4 856/4885

“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.