SCHEMBL2161206

SCHEMBL2161206

CCn1cnc(Nc2nc(Cl)nc(N[C@@H](C)c3ncc(F)cn3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.53
GRK6 P43250 1/20 0.49
JAK3 P52333 14/20 0.48
JAK1 P23458 8/20 0.48
AURKA O14965 3/20 0.47
NTRK1 P04629 2/20 0.47
RET P07949 2/20 0.47
FGFR1 P11362 2/20 0.47
CSNK2A2 P19784 2/20 0.47
FLT3 P36888 2/20 0.47
ABL1 P00519 1/20 0.47
FGR P09769 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
LIMK1 P53667 1/20 0.47
SIK1 P57059 1/20 0.47
PRKCZ Q05513 1/20 0.47
ALK Q9UM73 1/20 0.47
PLK4 O00444 1/20 0.40
STK10 O94804 1/20 0.40

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
SCHEMBL4434567 0.89 JAK2 (0.50) JAK2GRK6JAK3JAK1AURKA
SCHEMBL1396179 0.89 JAK2 (0.50) JAK2GRK6JAK3JAK1AURKA
SCHEMBL2160884 0.89 JAK2 (0.50) JAK2GRK6JAK3JAK1AURKA
SCHEMBL2161741 0.89 JAK2 (0.50) JAK2GRK6JAK3JAK1AURKA
SCHEMBL4434561 0.88 JAK2 (0.49) JAK2GRK6JAK3JAK1AURKA
SCHEMBL2161166 0.88 JAK2 (0.49) JAK2GRK6JAK3JAK1AURKA
SCHEMBL2161185 0.86 GRK6 (0.48) JAK2GRK6JAK3JAK1AURKA
SCHEMBL1396078 0.86 GRK6 (0.48) JAK2GRK6JAK3JAK1AURKA
SCHEMBL1396161 0.86 JAK2 (0.70) JAK2JAK3JAK1AURKANTRK1
SCHEMBL2161006 0.86 JAK2 (0.70) JAK2JAK3JAK1AURKANTRK1

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 2 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

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 6/4885GRK6 4230/4885JAK3 188/4885

“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.