SCHEMBL409372

SCHEMBL409372

Cc1cc(-c2nn(C(C)(C)C)c3ncnc(N)c23)ccc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 0.72
▸ ABL1 P00519 10/20 0.72
▸ KDM4E B2RXH2 2/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ HTT P42858 2/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ EGFR P00533 3/20 0.70
▸ KDR P35968 3/20 0.70
▸ RIPK2 O43353 2/20 0.70
▸ LCK P06239 2/20 0.70
▸ FYN P06241 2/20 0.70
▸ YES1 P07947 2/20 0.70
▸ LYN P07948 2/20 0.70
▸ PDGFRA P16234 2/20 0.70
▸ PRKACA P17612 2/20 0.70
▸ FRK P42685 2/20 0.70
▸ MAPK9 P45984 2/20 0.70
▸ CSNK1A1 P48729 2/20 0.70
▸ CSNK1D P48730 2/20 0.70

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 0.90 SMN1; SMN2 (0.75) SRCABL1KDM4EALDH1A1LMNA
SCHEMBL409043 0.87 SMN1; SMN2 (0.70) SRCABL1KDM4EALDH1A1LMNA
SCHEMBL14617301 0.85 SRC (0.89) SRCABL1KDM4EALDH1A1LMNA
SCHEMBL14617287 0.84 SRC (1.00) SRCABL1KDM4EALDH1A1LMNA
SCHEMBL3695039 0.84 KDM4E (1.00) SRCABL1KDM4EALDH1A1LMNA
SCHEMBL13840228 0.83 SRC (0.72) SRCABL1KDM4EALDH1A1LMNA
SCHEMBL14617289 0.83 SRC (0.74) SRCABL1KDM4EALDH1A1LMNA
SCHEMBL29432587 0.82 SRC (1.00) SRCABL1KDM4EALDH1A1LMNA
SCHEMBL407934 0.82 SRC (1.00) SRCABL1KDM4EALDH1A1LMNA
SCHEMBL29355398 0.81 SRC (1.00) SRCABL1KDM4EALDH1A1LMNA

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 7 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 SRC 2316/4885ABL1 3212/4885KDM4E 2263/4885
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 SRC 3123/4885ABL1 2641/4885KDM4E 4683/4885
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD SRC 2316/4885ABL1 3212/4885KDM4E 2263/4885
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD SRC 2316/4885ABL1 3212/4885KDM4E 2263/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885ABL1 1725/4885KDM4E 4425/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD SRC 2316/4885ABL1 3212/4885KDM4E 2263/4885

“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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