SCHEMBL4378622

SCHEMBL4378622

C[C@@H](Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)C5CC5)CC4)cc3)n2)cc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.55
JAK3 P52333 9/20 0.55
SYK P43405 1/20 0.54
HDAC1 Q13547 3/20 0.53
PDGFRB P09619 2/20 0.50
FLT3 P36888 2/20 0.50
CDK2 P24941 2/20 0.50
JAK1 P23458 2/20 0.50
TYK2 P29597 2/20 0.50
IKBKB O14920 1/20 0.50
KIT P10721 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
RPS6KB1 P23443 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
MAP3K9 P80192 1/20 0.50
PLK4 O00444 1/20 0.50
CIT O14578 1/20 0.50
GAK O14976 1/20 0.50

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
SCHEMBL4391446 0.97 JAK2 (0.54) JAK2JAK3SYKHDAC1PDGFRB
SCHEMBL4383485 0.89 JAK2 (0.57) JAK2JAK3HDAC1CDK2JAK1
SCHEMBL4387000 0.88 JAK2 (0.61) JAK2JAK3HDAC1CDK2JAK1
SCHEMBL4378185 0.88 JAK2 (0.61) JAK2JAK3HDAC1CDK2JAK1
SCHEMBL4457262 0.87 JAK2 (0.56) JAK2JAK3HDAC1FLT3CDK2
SCHEMBL4378618 0.86 JAK2 (0.75) JAK2JAK3SYKHDAC1PDGFRB
SCHEMBL4387657 0.86 JAK2 (0.74) JAK2JAK3HDAC1CDK2JAK1
SCHEMBL4380462 0.86 JAK2 (0.74) JAK2JAK3HDAC1CDK2JAK1
SCHEMBL4384824 0.85 JAK2 (0.57) JAK2JAK3HDAC1CDK2JAK1
SCHEMBL4376695 0.85 JAK2 (0.75) JAK2JAK3HDAC1PDGFRBFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 US disclosed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 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-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885SYK 180/4885

“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.