SCHEMBL10171968

SCHEMBL10171968

NC(=O)C1C2CCC(C2)C1Nc1nc(Nc2ccc(N3CCCCC3)cc2)nc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.58
BTK Q06187 7/20 0.58
IRAK4 Q9NWZ3 1/20 0.54
SYK P43405 5/20 0.47
PTK2 Q05397 2/20 0.46
TTK P33981 1/20 0.46
PIK3CB P42338 1/20 0.46
MAPK8 P45983 1/20 0.46
KDR P35968 2/20 0.46
AURKB Q96GD4 2/20 0.46
EGFR P00533 1/20 0.45

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
SCHEMBL10171163 0.93 JAK3 (0.60) JAK3BTKIRAK4SYKPTK2
SCHEMBL10171186 0.86 IRAK4 (0.69) JAK3BTKIRAK4
SCHEMBL10171507 0.82 IRAK4 (0.52) JAK3BTKIRAK4SYKPTK2
SCHEMBL12113709 0.82 SYK (0.45) IRAK4SYKKDRAURKB
SCHEMBL10171243 0.81 IRAK4 (0.63) JAK3BTKIRAK4TTKKDR
SCHEMBL10171970 0.79 IRAK4 (0.57) JAK3BTKIRAK4SYKKDR
SCHEMBL1305758 0.76 SYK (0.42) BTKIRAK4SYKKDRAURKB
SCHEMBL1019228 0.75 JAK3 (0.66) JAK3BTKIRAK4SYKPTK2
SCHEMBL12113706 0.75 SYK (0.47) IRAK4SYKKDRAURKB
SCHEMBL17856870 0.74 TTK (0.73) JAK3BTKSYKPTK2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160024116-A1 Kinase Inhibitors And Their Uses MIDCAP FINANCIAL TRUST 2016-01-28 US disclosed
US-9096542-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20120015937-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8053434-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-11-08 US disclosed
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 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 (4 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-20120015937-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN JAK3 12/4885BTK 1/4885IRAK4 239/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN JAK3 12/4885BTK 1/4885IRAK4 239/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 JAK3 12/4885BTK 1/4885IRAK4 293/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN JAK3 12/4885BTK 1/4885IRAK4 239/4885

“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.