SCHEMBL4874932

SCHEMBL4874932

CS(=O)(=O)N1CCN(Cc2cccc(Nc3ncccn3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.56
JAK3 P52333 9/20 0.56
KDR P35968 1/20 0.51
PTK2 Q05397 5/20 0.48
CSF1R P07333 1/20 0.47
TYK2 P29597 1/20 0.47
ULK2 Q8IYT8 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
ICAM1 P05362 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLK4 O00444 1/20 0.44
LTA4H P09960 1/20 0.44
SYK P43405 1/20 0.43

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
SCHEMBL3456047 0.88 JAK2 (0.58) JAK2JAK3KDRPTK2CSF1R
SCHEMBL14024424 0.79 JAK2 (0.51) JAK2JAK3KDRCSF1RTYK2
SCHEMBL4779158 0.79 CSF1R (0.51) JAK2JAK3KDRPTK2CSF1R
SCHEMBL4875509 0.79 PLK4 (0.64) JAK2JAK3KDRPTK2CSF1R
SCHEMBL27684493 0.77 KDM4E (0.49) JAK2JAK3CYP2C9CYP2C19
SCHEMBL14048207 0.77 KDR (0.65) JAK2JAK3KDRCYP3A4CYP2C9
SCHEMBL4732552 0.75 KDR (0.75) KDR
SCHEMBL14024633 0.75 KDR (0.45) JAK2JAK3KDRCSF1RTYK2
SCHEMBL15939450 0.75 KDR (0.55) KDR
SCHEMBL15829985 0.75 ALDH1A1 (0.57) RECQLSMN1; SMN2

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-8349859-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-01-08 US disclosed
US-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration HUTCHISON MEDIPHARMA ENTERPRISES LIMETED (BS) 2008-10-16 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-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration CCND2, KDR, FLT4 JAK2 910/4885JAK3 1979/4885KDR 2/4885

“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.