SCHEMBL368501

SCHEMBL368501

CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cccc(Br)c4)sc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGA2B P08514 17/20 0.51
▸ LMNA P02545 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46
▸ MAPT P10636 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
SCHEMBL359637 0.89 ITGA2B (0.56) ITGA2BITGB3CKS1BSKP1SKP2
SCHEMBL367846 0.89 ITGA2B (0.66) ITGA2BLMNAITGB3CKS1BSKP1
SCHEMBL368258 0.88 ITGA2B (0.67) ITGA2BITGB3CKS1BSKP1SKP2
SCHEMBL15130116 0.87 ITGA2B (0.45) ITGA2BITGB3CKS1BSKP1SKP2
SCHEMBL369864 0.86 ALPL (0.56) ITGA2BLMNAITGB3CKS1BSKP1
SCHEMBL368502 0.86 ABCB1 (0.46) LMNACKS1BSKP1SKP2MAPT
SCHEMBL371348 0.84 ITGA2B (0.62) ITGA2BITGB3CKS1BSKP1SKP2
SCHEMBL15137944 0.84 ALDH1A1 (0.44) ITGA2BLMNACKS1BSKP1SKP2
SCHEMBL30270968 0.84 ACKR3 (0.49) ITGA2BLMNAITGB3CKS1BSKP1
SCHEMBL369303 0.83 ITGA2B (0.51) ITGA2BLMNAITGB3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9532989-B2 Oxadiazolo[3,2-A]pyrimidines and thiadiazolo[3,2-A]pyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-03 — — US disclosed
US-20150374697-A1 ORGANIC COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-12-31 — — US disclosed
US-9066948-B2 Oxadiazolo[3,2-a]pyrimidines and thiadiazolo[3,2-a]pyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-30 — — US disclosed
US-20130251761-A1 ORGANIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 — — US disclosed
EP-2593106-A1 ORGANIC COMPOUNDS Rockefeller University (US) 2013-05-22 — — EP disclosed
WO-2012009688-A1 ORGANIC COMPOUNDS ROCKEFELLER UNIVERSITY (US) 2012-01-19 — — 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 (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-20150374697-A1 ORGANIC COMPOUNDS PLAT, ICAM1, VCAM1 ITGA2B 255/4885LMNA 3156/4885ITGB3 75/4885
US-20130251761-A1 ORGANIC COMPOUNDS PLAT, ICAM1, VCAM1 ITGA2B 255/4885LMNA 3156/4885ITGB3 75/4885

“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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