SCHEMBL16337487

SCHEMBL16337487

OCCn1cc(Nc2ncc(Cl)c(NC[C@@H]3CCNC3)n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.55
JAK1 P23458 11/20 0.55
JAK3 P52333 10/20 0.55
KDR P35968 1/20 0.51
AURKB Q96GD4 1/20 0.51
AXL P30530 4/20 0.50
TYRO3 Q06418 4/20 0.50
MERTK Q12866 4/20 0.50
TYK2 P29597 3/20 0.49
TTK P33981 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48

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
SCHEMBL15059526 1.00 JAK2 (0.55) JAK2JAK1JAK3KDRAURKB
SCHEMBL15059525 1.00 JAK2 (0.55) JAK2JAK1JAK3KDRAURKB
SCHEMBL15060022 0.88 JAK1 (0.58) JAK2JAK1JAK3KDRAURKB
Hydrochloric Acid SCHEMBL15059314 0.87 JAK1 (0.57) JAK2JAK1JAK3KDRAURKB
SCHEMBL16337387 0.82 JAK1 (0.56) JAK2JAK1JAK3KDRAURKB
SCHEMBL16336889 0.82 JAK1 (0.56) JAK2JAK1JAK3KDRAURKB
SCHEMBL15059571 0.82 JAK1 (0.56) JAK2JAK1JAK3KDRAURKB
SCHEMBL15060058 0.81 JAK1 (0.56) JAK2JAK1JAK3KDRAURKB
SCHEMBL15059223 0.80 JAK1 (0.57) JAK2JAK1JAK3KDRAURKB
SCHEMBL15058418 0.80 JAK1 (0.53) JAK2JAK1JAK3KDRAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 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-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885

“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.