SCHEMBL5019516

SCHEMBL5019516

CNCc1ncnc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.38
PRKACG P22612 2/20 0.38
PRKACB P22694 2/20 0.38
AKT2 P31751 2/20 0.38
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL5019517 0.82 KDM4A (0.34) HRH2HRH1HRH4HRH3KDM4A
SCHEMBL129625 0.81 HTT (0.34) HRH2HRH1HRH4HRH3TDP1
SCHEMBL5019513 0.81 MAP4K4 (0.34) HRH4HRH3
SCHEMBL20460450 0.80 MEN1 (0.38) PRKACAPRKACGPRKACBAKT2HRH2
SCHEMBL3313637 0.79 HRH2 (0.34) AKT2HRH2HRH1HRH4HRH3
SCHEMBL27745562 0.78 HTT (0.36) HRH2HRH1HRH4HRH3TDP1
SCHEMBL11903082 0.77 CYP3A4 (0.34)
SCHEMBL15597610 0.77 CSNK2A2 (0.32)
SCHEMBL24292894 0.76 CHRM4 (0.35) HRH2HRH1HRH4HRH3TDP1
SCHEMBL22047601 0.76 HPGD (0.36) HRH2HRH1HRH4HRH3TDP1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
EP-3613743-B1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES INTELLIKINE LLC (US) 2022-03-16 EP disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed
EP-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 EP disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 WO disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
WO-2011008302-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2011-01-20 WO disclosed
WO-2010129816-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2010-11-11 WO disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO disclosed
WO-2009088990-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO 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 (5 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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD PRKACA 25/4885PRKACG 27/4885PRKACB 30/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PRKACA 13/4885PRKACG 32/4885PRKACB 27/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PRKACA 24/4885PRKACG 56/4885PRKACB 48/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PRKACA 13/4885PRKACG 32/4885PRKACB 27/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A PRKACA 13/4885PRKACG 32/4885PRKACB 27/4885

“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.