SCHEMBL3036555

SCHEMBL3036555

CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc[c]cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.80
PKM P14618 1/20 0.80
GPR119 Q8TDV5 4/20 0.52
KMT2A Q03164 2/20 0.51
F2 P00734 2/20 0.50
PLG P00747 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
TPSAB1 Q15661 2/20 0.50
TPSD1 Q9BZJ3 2/20 0.50
TPSG1 Q9NRR2 2/20 0.50
FPR3 P25089 1/20 0.50
FPR2 P25090 1/20 0.50
RORC P51449 1/20 0.49
GNRHR P30968 1/20 0.49
NAMPT P43490 1/20 0.48
TGFBR1 P36897 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL26131403 0.89 KDM4E (1.00) KDM4EPKMGPR119KMT2AF2
SCHEMBL15661860 0.88 KDM4E (0.80) KDM4EPKMGPR119KMT2AF2
SCHEMBL13947430 0.88 KDM4E (0.80) KDM4EPKMGPR119KMT2AF2
SCHEMBL3126505 0.87 KDM4E (0.79) KDM4EPKMGPR119KMT2AF2
SCHEMBL20615646 0.87 KDM4E (0.79) KDM4EPKMGPR119KMT2AF2
SCHEMBL20615733 0.87 KDM4E (0.79) KDM4EPKMGPR119KMT2AF2
SCHEMBL16825871 0.87 KDM4E (0.79) KDM4EPKMGPR119KMT2AF2
SCHEMBL557627 0.84 KDM4E (0.73) KDM4EPKMGPR119KMT2AF2
SCHEMBL26668533 0.81 KDM4E (0.70) KDM4EPKMGPR119KMT2AMEN1
SCHEMBL21586161 0.81 KDM4E (0.76) KDM4EPKMGPR119KMT2AFPR3

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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF KDM4E 2452/4885PKM 1101/4885GPR119 2588/4885

“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.