SCHEMBL368215

SCHEMBL368215

CCc1nn2c(=O)cc(Cl)nc2s1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
MAPT P10636 4/20 0.54
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4487737 0.85 MAPT (0.61) ITGB3ITGA2BMAPTLMNATHRB
SCHEMBL13464704 0.83 MAPT (0.62) ITGB3ITGA2BMAPTLMNATHRB
SCHEMBL19557525 0.83 MAPT (0.68) ITGB3ITGA2BMAPTPKMKDM4E
SCHEMBL19086817 0.81 ITGB3 (0.56) ITGB3ITGA2BMAPTLMNATHRB
SCHEMBL4490199 0.80 MAPT (0.62) ITGB3ITGA2BMAPTLMNATHRB
SCHEMBL4474040 0.79 ITGB3 (0.54) ITGB3ITGA2BMAPTLMNATHRB
SCHEMBL2673777 0.79 NPC1 (0.48) MAPTLMNATHRBKDM4EKMT2A
SCHEMBL368216 0.78 ITGA2B (0.47) ITGB3ITGA2BMAPTLMNATHRB
SCHEMBL4487742 0.76 ITGA2B (0.45) ITGB3ITGA2BMAPTLMNATHRB
SCHEMBL370044 0.76 KDM4E (0.63) ITGB3ITGA2BMAPTLMNATHRB

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 18 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-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-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-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-9073945-B2 Alpha-IIb-beta-3 inhibitors and uses thereof THE ROCKEFELLER UNIVERSITY (US) 2015-07-07 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-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-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
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
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
US-20120190645-A1 Organic compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 US disclosed
US-8173661-B2 Alpha-IIB-beta-3 inhibitors and uses thereof THE ROCKEFELLER UNIVERSITY (US) 2012-05-08 US disclosed
WO-2012009688-A1 ORGANIC COMPOUNDS ROCKEFELLER UNIVERSITY (US) 2012-01-19 WO disclosed
WO-2012009688-A1 ORGANIC COMPOUNDS ROCKEFELLER UNIVERSITY (US) 2012-01-19 WO disclosed
US-20100150913-A1 ORGANIC COMPOUNDS THE ROCKEFELLER UNIVERSITY (US) 2010-06-17 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 (4 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-20120190645-A1 Organic compounds ICAM1, VCAM1, PLAT ITGB3 105/4885ITGA2B 352/4885MAPT 2102/4885
US-20150374697-A1 ORGANIC COMPOUNDS PLAT, ICAM1, VCAM1 ITGB3 75/4885ITGA2B 255/4885MAPT 1706/4885
US-20100150913-A1 ORGANIC COMPOUNDS ICAM1, VCAM1, PLAT ITGB3 105/4885ITGA2B 352/4885MAPT 2102/4885
US-20130251761-A1 ORGANIC COMPOUNDS PLAT, ICAM1, VCAM1 ITGB3 75/4885ITGA2B 255/4885MAPT 1706/4885

“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.