SCHEMBL407891

SCHEMBL407891

COc1cc(C)cc(-c2cn(C(C)C)c3ncnc(Cl)c23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.42
▸ TEK Q02763 9/20 0.42
▸ LCK P06239 6/20 0.42
▸ SRC P12931 4/20 0.42
▸ PIK3CD O00329 3/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ PIK3CB P42338 3/20 0.40
▸ PIK3CG P48736 3/20 0.40
▸ PRKDC P78527 3/20 0.40
▸ EGFR P00533 4/20 0.37
▸ ABL1 P00519 3/20 0.37
▸ ABL2 P42684 1/20 0.37
▸ HCK P08631 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ EPHB4 P54760 2/20 0.36
▸ PI4KB Q9UBF8 2/20 0.36
▸ EIF2AK3 Q9NZJ5 1/20 0.36
▸ RET P07949 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL407932 0.83 PIK3CD (0.52) KDRTEKLCKSRCPIK3CD
SCHEMBL2075050 0.83 KDR (0.56) KDRTEKLCKSRCPIK3CD
SCHEMBL461766 0.78 PIK3CD (0.56) KDRTEKLCKSRCPIK3CD
SCHEMBL407929 0.73 PIK3CD (0.51) KDRTEKLCKSRCPIK3CD
SCHEMBL7009436 0.73 KDR (0.55) KDRTEKLCKSRCPIK3CD
SCHEMBL408527 0.71 PIK3CD (0.49) KDRTEKLCKSRCPIK3CD
SCHEMBL25611698 0.71 ADK (0.45) KDRTEKLCKSRCPIK3CD
SCHEMBL440649 0.70 PIK3CD (0.48) KDRTEKLCKSRCPIK3CD
SCHEMBL2072353 0.70 KDR (0.46) KDRTEKLCKSRCPIK3CD
SCHEMBL7058330 0.69 PIK3CD (0.55) KDRTEKLCKSRCPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 — — US disclosed
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 — — US disclosed
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 — — US disclosed
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 — — US disclosed
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 — — US disclosed
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 — — US disclosed
US-7429596-B2 1H-pyrrolo [2,3-D] pyrimidine derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-30 — — US disclosed
US-7429596-B2 1H-pyrrolo [2,3-D] pyrimidine derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-30 — — 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-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD KDR 1855/4885TEK 1072/4885LCK 1915/4885
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD KDR 1855/4885TEK 1072/4885LCK 1915/4885
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD KDR 1855/4885TEK 1072/4885LCK 1915/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD KDR 1855/4885TEK 1072/4885LCK 1915/4885

“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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