SCHEMBL2161689

SCHEMBL2161689

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.45
JAK3 P52333 10/20 0.44
JAK1 P23458 4/20 0.44
AURKA O14965 3/20 0.44
NTRK1 P04629 3/20 0.44
RET P07949 2/20 0.44
FGFR1 P11362 2/20 0.44
CSNK2A2 P19784 2/20 0.44
FLT3 P36888 2/20 0.44
PLK4 O00444 1/20 0.44
STK10 O94804 1/20 0.44
PAK4 O96013 1/20 0.44
FER P16591 1/20 0.44
TYK2 P29597 1/20 0.44
STAT3 P40763 1/20 0.44
STAT5A P42229 1/20 0.44
CDK3 Q00526 1/20 0.44
PTK2 Q05397 1/20 0.44
TNK2 Q07912 1/20 0.44
STK4 Q13043 1/20 0.44

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
SCHEMBL1396058 1.00 JAK2 (0.45) JAK2JAK3JAK1AURKANTRK1
SCHEMBL4372820 0.78 HTR7 (0.61) NTRK1
SCHEMBL4421973 0.76 JAK2 (0.54) JAK2JAK3NTRK1
SCHEMBL2160844 0.76 JAK2 (0.54) JAK2JAK3NTRK1
SCHEMBL2161854 0.75 JAK2 (0.54) JAK2JAK3NTRK1
SCHEMBL4419211 0.75 JAK2 (0.54) JAK2JAK3NTRK1
SCHEMBL15794930 0.74 JAK2 (0.42) JAK2JAK3JAK1AURKANTRK1
SCHEMBL2161006 0.74 JAK2 (0.70) JAK2JAK3JAK1AURKANTRK1
SCHEMBL1396161 0.74 JAK2 (0.70) JAK2JAK3JAK1AURKANTRK1
SCHEMBL2161030 0.73 JAK2 (0.54) 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 3 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

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 188/4885JAK1 342/4885

“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.