SCHEMBL409043

SCHEMBL409043

CC(C)(C)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ HTT P42858 2/20 0.70
▸ SRC P12931 18/20 0.69
▸ ABL1 P00519 15/20 0.69
▸ EGFR P00533 11/20 0.69
▸ KDR P35968 11/20 0.69
▸ PIK3CD O00329 11/20 0.69
▸ HCK P08631 10/20 0.69
▸ PIK3CA P42336 10/20 0.69
▸ PIK3CB P42338 10/20 0.69
▸ PIK3CG P48736 10/20 0.69
▸ PRKDC P78527 10/20 0.69
▸ MTOR P42345 10/20 0.69
▸ EPHB4 P54760 8/20 0.69
▸ PI4KB Q9UBF8 6/20 0.69
▸ BTK Q06187 3/20 0.67
▸ RIPK2 O43353 2/20 0.67

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
SCHEMBL13019808 0.89 SMN1; SMN2 (0.75) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL409372 0.87 SRC (0.72) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL14086495 0.85 PIK3CD (0.71) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL130466 0.84 PIK3CD (0.76) SRCABL1EGFRKDRPIK3CD
SCHEMBL14617301 0.84 SRC (0.89) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL3695039 0.83 KDM4E (1.00) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL5620074 0.83 SRC (0.78) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL18874474 0.81 PIK3CD (0.72) SRCABL1EGFRKDRPIK3CD
SCHEMBL3607753 0.81 PIK3CD (1.00) SRCABL1EGFRKDRPIK3CD
SCHEMBL408497 0.81 SRC (0.76) SMN1; SMN2KDM4EALDH1A1LMNAHTT

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 9 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-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-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

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 SMN1; SMN2 3483/4885KDM4E 2263/4885ALDH1A1 198/4885
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD SMN1; SMN2 3483/4885KDM4E 2263/4885ALDH1A1 198/4885
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD SMN1; SMN2 3483/4885KDM4E 2263/4885ALDH1A1 198/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD SMN1; SMN2 3483/4885KDM4E 2263/4885ALDH1A1 198/4885

“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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