SCHEMBL2319296

SCHEMBL2319296

[c]1n[nH]c2c1cnc1[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.42
AXL P30530 2/20 0.42
NUDT1 P36639 3/20 0.36
JAK3 P52333 4/20 0.34
JAK2 O60674 3/20 0.34
AURKB Q96GD4 2/20 0.34
KDR P35968 2/20 0.34
AURKA O14965 2/20 0.34
IGF1R P08069 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 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
SCHEMBL4352565 0.69 NUDT1 (0.47) PRKCIAXLNUDT1JAK3JAK2
SCHEMBL2318359 0.69 CCNK (0.46) PRKCIAXLNUDT1JAK3JAK2
SCHEMBL1933750 0.68 PRKCI (0.42) PRKCIAXLNUDT1JAK3JAK2
SCHEMBL14697441 0.67 CCR8 (0.52) PRKCIAXLNUDT1JAK3JAK2
SCHEMBL2223296 0.67 PRKCI (0.44) PRKCIAXLNUDT1JAK3JAK2
SCHEMBL19743086 0.67 PRKCI (0.41) PRKCIAXLNUDT1JAK3JAK2
SCHEMBL17353634 0.64 PRKCI (0.42) PRKCIAXLNUDT1JAK3JAK2
SCHEMBL29588095 0.64 PRKCI (0.42) PRKCIAXLNUDT1JAK3JAK2
SCHEMBL2320197 0.64 PRKCI (0.33) PRKCIAXLJAK3JAK2AURKB
SCHEMBL2316792 0.63 JAK2 (0.45) PRKCIAXLJAK3JAK2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US claimed
US-20230364135-A1 GUT-SELECTIVE SEQUESTERING AGENTS FOR THE TREATMENT AND PREVENTION OF AUTISM AND RELATED DISORDERS AXIAL BIOTHERAPEUTICS, INC. (US) 2023-11-16 US disclosed
WO-2023154966-A1 COMPOSITIONS AND METHODS FOR SEQUESTERING METABOLITES IN THE GASTROINTESTINAL TRACT AXIAL THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 US disclosed
US-11007219-B2 Gut-selective sequestering agents for the treatment and prevention of autism and related disorders AXIAL THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
US-20200390809-A1 GUT-SELECTIVE SEQUESTERING AGENTS FOR THE TREATMENT AND PREVENTION OF AUTISM AND RELATED DISORDERS AXIAL BIOTHERAPEUTICS, INC. (US) 2020-12-17 US disclosed
US-20200368276-A1 GUT-SELECTIVE SEQUESTERING AGENTS FOR THE TREATMENT AND PREVENTION OF AUTISM AND RELATED DISORDERS AXIAL THERAPEUTICS, INC. 2020-11-26 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
EP-3013337-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS Abbvie Inc. (US) 2016-05-04 EP disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 US disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 WO disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-20140315883-A1 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS ABBVIE INC. (US) 2014-10-23 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 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 (10 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 PRKCI 1043/4885AXL 652/4885NUDT1 238/4885
US-20140315883-A1 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS IL5, IL2, IL15 PRKCI 2514/4885AXL 2543/4885NUDT1 1094/4885
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 PRKCI 227/4885AXL 97/4885NUDT1 3317/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 PRKCI 227/4885AXL 97/4885NUDT1 3317/4885
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 PRKCI 949/4885AXL 4089/4885NUDT1 2945/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 PRKCI 668/4885AXL 1101/4885NUDT1 2287/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 PRKCI 668/4885AXL 1101/4885NUDT1 2287/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 PRKCI 949/4885AXL 4089/4885NUDT1 2945/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 PRKCI 2135/4885AXL 2169/4885NUDT1 2693/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 PRKCI 2135/4885AXL 2169/4885NUDT1 2693/4885

“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.