SCHEMBL2546287

SCHEMBL2546287

CCCn1cc(-c2ccnc(Nc3cccc(N4CCNCC4)c3)n2)c2nc(Cl)cc(C)c21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CAMK2D Q13557 3/20 0.53
▸ CDK2 P24941 9/20 0.48
▸ CCNT1 O60563 7/20 0.48
▸ CDK9 P50750 7/20 0.48
▸ CCNA2 P20248 6/20 0.48
▸ CDK1 P06493 6/20 0.48
▸ CCNB1 P14635 6/20 0.48
▸ CDK7 P50613 6/20 0.48
▸ CCNH P51946 5/20 0.48
▸ CCNA1 P78396 3/20 0.48
▸ FLT3 P36888 6/20 0.47
▸ CCNE1 P24864 2/20 0.46
▸ MNAT1 P51948 1/20 0.46
▸ ACVR1 Q04771 3/20 0.43
▸ MARK3 P27448 1/20 0.41
▸ WEE1 P30291 1/20 0.41
▸ ALK Q9UM73 1/20 0.41

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
SCHEMBL2539545 0.91 ACVR1 (0.49) CAMK2DCDK2CCNT1CDK9CCNA2
SCHEMBL2546325 0.91 CAMK2D (0.53) CAMK2DCDK2CDK1CCNB1CDK7
SCHEMBL2545770 0.91 CAMK2D (0.51) CAMK2DCDK2CCNT1CDK9CCNA2
SCHEMBL2539863 0.88 FLT3 (0.55) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2544646 0.86 IKBKB (0.48) —
SCHEMBL2542388 0.84 CAMK2D (0.53) CAMK2DCDK2CCNT1CDK9CCNA2
SCHEMBL2542192 0.84 PLK1 (0.48) CDK2CCNT1CDK9CCNA2CDK1
SCHEMBL2547332 0.83 JAK2 (0.53) CAMK2DCDK2CCNT1CDK9CDK1
SCHEMBL2544634 0.82 IKBKB (0.55) CDK2CCNE1
SCHEMBL2547232 0.81 JAK2 (0.52) CAMK2DCDK2CCNT1CDK9CCNA2

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 CAMK2D 239/4885CDK2 89/4885CCNT1 1213/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 CAMK2D 38/4885CDK2 420/4885CCNT1 3334/4885

“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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