SCHEMBL4287928

SCHEMBL4287928

CCN1CCN(Cc2ccc(-n3ccc4cnc(Nc5ccc(OC(C)C)cc5)nc43)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.50
BRD4 O60885 10/20 0.50
CDK4 P11802 3/20 0.46
AURKA O14965 3/20 0.46
CSF1R P07333 2/20 0.46
CDK6 Q00534 1/20 0.46
EIF2AK4 Q9P2K8 1/20 0.45
SYK P43405 1/20 0.44
RPS6KA3 P51812 3/20 0.44
JAK3 P52333 2/20 0.43
JAK1 P23458 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
DAPK3 O43293 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 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
SCHEMBL1655308 0.91 RPS6KA3 (0.51) JAK2BRD4CDK4AURKASYK
SCHEMBL4285358 0.90 JAK2 (0.48) JAK2BRD4CDK4AURKACSF1R
SCHEMBL4285354 0.90 JAK2 (0.50) JAK2BRD4CDK4AURKACSF1R
SCHEMBL13749163 0.88 JAK2 (0.48) JAK2BRD4CDK4AURKASYK
SCHEMBL4295870 0.85 JAK2 (0.56) JAK2BRD4CDK4AURKACSF1R
SCHEMBL1654996 0.84 JAK2 (0.53) JAK2BRD4CDK4CSF1RCDK6
SCHEMBL1655778 0.82 AURKA (0.48) JAK2BRD4CDK4AURKACSF1R
SCHEMBL1654949 0.82 AURKA (0.47) JAK2BRD4CDK4AURKACSF1R
SCHEMBL1657493 0.81 RPS6KA3 (0.51) JAK2BRD4CDK4AURKACSF1R
SCHEMBL13746655 0.81 AURKA (0.44) JAK2BRD4CDK4AURKACSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US claimed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 JAK2 2/4885BRD4 964/4885CDK4 186/4885

“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.