SCHEMBL12385674

SCHEMBL12385674

C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](C#N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 1.00
TYK2 P29597 8/20 1.00
JAK3 P52333 8/20 1.00
CYP3A4 P08684 3/20 1.00
JAK2 O60674 6/20 0.79
KCNH2 Q12809 1/20 0.75

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
SCHEMBL22511889 1.00 JAK1 (1.00) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL2224822 1.00 JAK1 (1.00) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL21419615 1.00 JAK1 (1.00) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL14643444 0.94 JAK1 (0.89) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL14605270 0.94 JAK1 (0.89) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL14605271 0.94 JAK1 (0.89) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL14605269 0.94 JAK1 (0.89) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL14643446 0.94 JAK1 (0.89) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL12385607 0.93 JAK1 (0.88) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL2280828 0.93 JAK1 (0.88) JAK1TYK2JAK3CYP3A4JAK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203595-B2 Aza-indazole compounds for use in tendon and/or ligament injuries NOVARTIS AG (CH) 2021-12-21 US disclosed
US-20210188842-A1 AZA-INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES NOVARTIS AG (CH) 2021-06-24 US disclosed
EP-3568396-B1 NOVEL AMINO-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2020-11-11 EP disclosed
US-10766894-B2 Aza-indazole compounds for use in tendon and/or ligament injuries NOVARTIS AG (CH) 2020-09-08 US disclosed
US-10703751-B2 Amino-imidazopyridine derivatives as Janus kinase inhibitors and pharmaceutical use thereof LEO PHARMA A/S (DK) 2020-07-07 US disclosed
US-20190300522-A1 AZA-INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2019-10-03 US disclosed
WO-2018130563-A1 NOVEL AMINO-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2018-07-19 WO disclosed
US-20180086716-A1 Indazole Compounds for Use in Tendon and/or Ligament Injuries NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2018-03-29 US disclosed
US-20180086716-A1 Indazole Compounds for Use in Tendon and/or Ligament Injuries NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2018-03-29 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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 (7 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-10766894-B2 Aza-indazole compounds for use in tendon and/or ligament injuries MMP1, TIMP3, ALPI JAK1 956/4885TYK2 2892/4885JAK3 801/4885
US-20190300522-A1 AZA-INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES MMP1, TIMP3, ALPI JAK1 956/4885TYK2 2892/4885JAK3 801/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK1 434/4885TYK2 827/4885JAK3 780/4885
US-10703751-B2 Amino-imidazopyridine derivatives as Janus kinase inhibitors and pharmaceutical use thereof JAK1, JAK2, JAK3 JAK1 1/4885TYK2 8/4885JAK3 3/4885
US-20210188842-A1 AZA-INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES MMP1, ALPI, TIMP3 JAK1 1001/4885TYK2 2940/4885JAK3 903/4885
US-20180086716-A1 Indazole Compounds for Use in Tendon and/or Ligament Injuries MMP1, SLC10A2, TNNI3 JAK1 1631/4885TYK2 2747/4885JAK3 1355/4885
US-11203595-B2 Aza-indazole compounds for use in tendon and/or ligament injuries MMP1, ALPI, TIMP3 JAK1 1001/4885TYK2 2940/4885JAK3 903/4885

“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.