SCHEMBL2160844

SCHEMBL2160844

C[C@H](Nc1nc(Cl)nc(N2CCOCC2)n1)c1ncc(F)cn1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.54
JAK3 P52333 9/20 0.54
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.43
NTRK1 P04629 1/20 0.42
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4421973 1.00 JAK2 (0.54) JAK2JAK3MAPK1MAPTNTRK1
SCHEMBL2161854 0.87 JAK2 (0.54) JAK2JAK3MAPK1MAPTNTRK1
SCHEMBL4419211 0.87 JAK2 (0.54) JAK2JAK3MAPK1MAPTNTRK1
SCHEMBL2162010 0.81 JAK2 (0.57) JAK2JAK3MAPTNTRK1
SCHEMBL1396515 0.81 JAK2 (0.57) JAK2JAK3MAPTNTRK1
SCHEMBL3671795 0.81 JAK2 (0.65) JAK2JAK3NTRK1KCNH2
SCHEMBL2338534 0.81 JAK2 (0.65) JAK2JAK3NTRK1KCNH2
SCHEMBL2332818 0.81 JAK2 (0.65) JAK2JAK3MAPTNTRK1KCNH2
SCHEMBL2160983 0.80 JAK2 (0.57) JAK2JAK3NTRK1
SCHEMBL4571027 0.79 JAK2 (0.74) JAK2JAK3MAPTNTRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
WO-2009150462-A1 TRICYCLIC 2,4-DIAMIN0-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-17 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 (1 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-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS THPO, MPL, MCL1 JAK2 6/4885JAK3 188/4885MAPK1 2629/4885

“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.