SCHEMBL2546324

SCHEMBL2546324

CCn1cc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)c2nccc(C)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.54
▸ PLK4 O00444 2/20 0.48
▸ MAPK10 P53779 2/20 0.47
▸ JAK2 O60674 5/20 0.47
▸ LRRK2 Q5S007 2/20 0.47
▸ ACVR1 Q04771 2/20 0.46
▸ CDK2 P24941 4/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ CCNH P51946 1/20 0.45
▸ TTK P33981 1/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2542180 0.90 CCNT1 (0.58) BTKCDK2CDK1CDK9CCNT1
SCHEMBL2547228 0.84 BTK (0.51) BTKPLK4MAPK10JAK2LRRK2
SCHEMBL2540505 0.84 BTK (0.49) BTKPLK4MAPK10JAK2LRRK2
SCHEMBL2545785 0.82 BTK (0.53) BTKPLK4MAPK10JAK2LRRK2
SCHEMBL2546585 0.79 JAK2 (0.55) PLK4MAPK10JAK2ACVR1CDK2
SCHEMBL2538150 0.78 ACVR1 (0.56) BTKJAK2LRRK2ACVR1CDK2
SCHEMBL2542008 0.78 BTK (0.51) BTKPLK4MAPK10JAK2LRRK2
SCHEMBL2543299 0.77 IKBKB (0.53) MAPK10CDK2CDK1CDK9CCNT1
SCHEMBL1447162 0.77 CDK2 (0.69) BTKPLK4MAPK10JAK2LRRK2
SCHEMBL14021578 0.76 JAK2 (0.64) BTKPLK4MAPK10JAK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2014-10-09 — — US claimed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 — — US claimed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — US claimed
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2014-10-09 — — US disclosed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 — — US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — 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 (2 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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 BTK 240/4885PLK4 274/4885MAPK10 76/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 BTK 226/4885PLK4 1942/4885MAPK10 107/4885

“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.

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