SCHEMBL789756

SCHEMBL789756

Cc1nc(C)c2ccn(C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
KCNN3 Q9UGI6 1/20 0.35
PRKD3 O94806 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
NOTUM Q6P988 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL18056018 0.80 HRH4 (0.53) HRH4KCNN3PRKD3CLK2DYRK1A
SCHEMBL19684529 0.80 HRH4 (0.42) HRH4KCNN3PRKD3CLK2DYRK1A
SCHEMBL19033043 0.80 HSD11B1 (0.36) HRH4KCNN3PRKD3CLK2DYRK1A
SCHEMBL25590761 0.80 HRH4 (0.36) HRH4KCNN3PRKD3CLK2DYRK1A
SCHEMBL18711826 0.80 HRH4 (0.36) HRH4KCNN3PRKD3CLK2DYRK1A
SCHEMBL19822712 0.78
SCHEMBL16478445 0.77 HRH4 (0.34) HRH4KCNN3NOTUM
SCHEMBL19711586 0.75 KMT2A (0.34) HRH4
SCHEMBL784044 0.75 GPR4 (0.30)
SCHEMBL15187555 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 US disclosed
US-9605018-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2017-03-28 US disclosed
US-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2017-01-05 US disclosed
US-9365605-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-06-14 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 US disclosed
US-9156874-B2 Double-liver-targeting phosphoramidate and phosphonoamidate prodrugs NANJING MOLECULAR RESEARCH, INC. (CN) 2015-10-13 US disclosed
US-9095599-B2 O-(substituted benzyl) phosphoramidate compounds and therapeutic use NANJING MOLECULAR RESEARCH, INC. (CN) 2015-08-04 US disclosed
US-20150141363-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-05-21 US disclosed
US-8980865-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2015-03-17 US disclosed
US-20130190320-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES, INC. (US) 2013-07-25 US disclosed
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-06-27 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-20120178767-A1 TREATMENT OF LIVER DISORDERS WITH P13K INHIBITORS GILEAD CALISTOGA LLC (US) 2012-07-12 US disclosed
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 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 (13 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-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 HRH4 2029/4885KCNN3 2354/4885PRKD3 477/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 HRH4 2029/4885KCNN3 2354/4885PRKD3 477/4885
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB HRH4 426/4885KCNN3 3068/4885PRKD3 42/4885
US-20120178767-A1 TREATMENT OF LIVER DISORDERS WITH P13K INHIBITORS PYGL, PRKCZ, PHKG1 HRH4 2432/4885KCNN3 1003/4885PRKD3 22/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP HRH4 4619/4885KCNN3 4544/4885PRKD3 1909/4885
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP HRH4 3288/4885KCNN3 4585/4885PRKD3 1639/4885
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP HRH4 3288/4885KCNN3 4585/4885PRKD3 1639/4885
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 HRH4 2340/4885KCNN3 3450/4885PRKD3 1382/4885
US-20150141363-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP HRH4 3288/4885KCNN3 4585/4885PRKD3 1639/4885
US-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP HRH4 3369/4885KCNN3 4121/4885PRKD3 781/4885
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 HRH4 3084/4885KCNN3 4418/4885PRKD3 1736/4885
US-20130190320-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ERBB2, EGFR, ERBB3 HRH4 1945/4885KCNN3 4614/4885PRKD3 482/4885
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP HRH4 3369/4885KCNN3 4121/4885PRKD3 781/4885

“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.