SCHEMBL4288909

SCHEMBL4288909

O=S1(=O)CCN(Cc2c(F)cc(-n3ccc4cnc(Nc5ccccn5)nc43)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.44
RPS6KA3 P51812 3/20 0.40
CDK4 P11802 4/20 0.40
CCND1 P24385 2/20 0.40
CCND2 P30279 2/20 0.40
CCND3 P30281 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
AURKA O14965 3/20 0.38
JAK2 O60674 5/20 0.38
BRD4 O60885 3/20 0.38
JAK3 P52333 3/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
CDC7 O00311 1/20 0.37
CHEK1 O14757 1/20 0.37

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
SCHEMBL4288912 0.91 PTK2 (0.44) PTK2RPS6KA3CDK4CCND1CCND2
SCHEMBL4284006 0.89 JAK2 (0.46) RPS6KA3CDK4CCND1CCND2CCND3
SCHEMBL1654492 0.88 RPS6KA3 (0.50) PTK2RPS6KA3CDK4CCND1CCND2
SCHEMBL1657536 0.86 AURKA (0.48) PTK2RPS6KA3CDK4CDK2AURKA
SCHEMBL4290775 0.86 RPS6KA3 (0.45) PTK2RPS6KA3CDK4AURKAJAK2
SCHEMBL4292759 0.84 RPS6KA3 (0.53) RPS6KA3CDK4CCND1CCND3CDK2
SCHEMBL1657501 0.82 RPS6KA3 (0.45) RPS6KA3CDK4AURKAJAK2BRD4
SCHEMBL4288944 0.82 RPS6KA3 (0.45) RPS6KA3CDK4AURKAJAK2BRD4
SCHEMBL4293671 0.81 JAK2 (0.44) PTK2RPS6KA3CDK4AURKAJAK2
SCHEMBL4286084 0.81 AXL (0.45) RPS6KA3JAK2BRD4JAK3JAK1

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 PTK2 175/4885RPS6KA3 303/4885CDK4 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.