SCHEMBL368216

SCHEMBL368216

CCc1nn2c(Cl)cc(=O)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA2B P08514 2/20 0.47
ITGB3 P05106 1/20 0.47
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4487742 0.82 ITGA2B (0.45) ITGA2BITGB3MAPTTDP1LMNA
SCHEMBL4490201 0.79 ITGA2B (0.45) ITGA2BITGB3MAPTLMNATHRB
SCHEMBL4474046 0.79 ITGA2B (0.45) ITGA2BITGB3MAPTTDP1LMNA
SCHEMBL2673780 0.79 RAB9A (0.40) MAPTLMNATHRBPOLBKDM4E
SCHEMBL368215 0.78 ITGB3 (0.56) ITGA2BITGB3MAPTLMNATHRB
SCHEMBL370045 0.76 KDM4E (0.53) ITGA2BITGB3MAPTLMNATHRB
SCHEMBL11472264 0.75 MAPT (0.49) ITGA2BITGB3MAPTLMNATHRB
SCHEMBL15260660 0.74 ITGA2B (0.49) ITGA2BITGB3MAPTLMNATHRB
SCHEMBL19557525 0.73 MAPT (0.68) ITGA2BITGB3MAPTPOLBPKM
SCHEMBL13464704 0.73 MAPT (0.62) ITGA2BITGB3MAPTLMNATHRB

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 10 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-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-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
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 ITGA2B 352/4885ITGB3 105/4885MAPT 2102/4885
US-20150374697-A1 ORGANIC COMPOUNDS PLAT, ICAM1, VCAM1 ITGA2B 255/4885ITGB3 75/4885MAPT 1706/4885
US-20100150913-A1 ORGANIC COMPOUNDS ICAM1, VCAM1, PLAT ITGA2B 352/4885ITGB3 105/4885MAPT 2102/4885
US-20130251761-A1 ORGANIC COMPOUNDS PLAT, ICAM1, VCAM1 ITGA2B 255/4885ITGB3 75/4885MAPT 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.