SCHEMBL599712

SCHEMBL599712

CC(=O)N1CCn2c(Br)cnc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.53
NOTUM Q6P988 1/20 0.39
PDK2 Q15119 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TGFBR1 P36897 1/20 0.36
ENPP2 Q13822 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL1017946 0.85 P2RX7 (0.54) P2RX7PDK2HDAC4HDAC1HDAC6
SCHEMBL21423632 0.82 P2RX7 (0.51) P2RX7NOTUMPDK2HDAC3HDAC4
SCHEMBL24656040 0.81 P2RX7 (0.39) P2RX7NOTUMPDK2HDAC3HDAC4
SCHEMBL21423961 0.81 TGFBR1 (0.40) P2RX7NOTUMPDK2HDAC3HDAC4
SCHEMBL29572376 0.80 P2RX7 (0.56) P2RX7PDK2HDAC4HDAC1HDAC6
SCHEMBL601417 0.80 P2RX7 (0.47) P2RX7PDK2MEN1KMT2AALDH1A1
SCHEMBL17579750 0.79 PDK2 (0.41) P2RX7NOTUMPDK2HDAC3HDAC4
SCHEMBL10233673 0.78 CPB2 (0.43) P2RX7NOTUMPDK2HDAC3HDAC4
SCHEMBL10183064 0.78 PDK2 (0.43) P2RX7NOTUMPDK2HDAC4HDAC1
SCHEMBL21423969 0.77 PDK2 (0.39) P2RX7NOTUMPDK2HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
EP-2379513-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-26 EP disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF P2RX7 4296/4885NOTUM 2776/4885PDK2 465/4885

“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.