SCHEMBL2541859

SCHEMBL2541859

CCCn1cc(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)c2nccc(C)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.53
▸ CDK7 P50613 2/20 0.53
▸ CDK9 P50750 2/20 0.53
▸ CCNT1 O60563 1/20 0.53
▸ CDK1 P06493 1/20 0.53
▸ CCNB1 P14635 1/20 0.53
▸ CCNA2 P20248 1/20 0.53
▸ CCNA1 P78396 1/20 0.53
▸ WEE1 P30291 2/20 0.53
▸ FLT3 P36888 2/20 0.53
▸ ALK Q9UM73 2/20 0.53
▸ ACVR1 Q04771 11/20 0.53
▸ CCNE1 P24864 2/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ ABL1 P00519 1/20 0.51

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
SCHEMBL2538150 0.93 ACVR1 (0.56) CDK2CDK7CDK9CCNT1CDK1
SCHEMBL2546585 0.90 JAK2 (0.55) CDK2CDK9CCNT1CDK1WEE1
SCHEMBL2545770 0.90 CAMK2D (0.51) CDK2CDK7CDK9CCNT1CDK1
SCHEMBL2539545 0.89 ACVR1 (0.49) CDK2CDK7CDK9CCNT1CDK1
SCHEMBL2537269 0.86 FLT3 (0.59) CDK2CDK7CDK9CDK1CCNB1
SCHEMBL2539360 0.86 IKBKB (0.59) CDK2CCNE1
SCHEMBL2542388 0.83 CAMK2D (0.53) CDK2CDK7CDK9CCNT1CDK1
SCHEMBL2546577 0.81 ACVR1 (0.57) CDK2CDK7CDK9CCNT1CDK1
SCHEMBL2547232 0.81 JAK2 (0.52) CDK2CDK7CDK9CCNT1CDK1
SCHEMBL2545035 0.81 FLT3 (0.60) CDK2CDK7CDK9CCNT1CDK1

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 CDK2 89/4885CDK7 282/4885CDK9 242/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 CDK2 420/4885CDK7 707/4885CDK9 763/4885

“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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