SCHEMBL2543943

SCHEMBL2543943

CCn1cc(-c2ccnc(Nc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)n2)c2ccncc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.51
▸ CDK2 P24941 6/20 0.49
▸ CCNE1 P24864 4/20 0.49
▸ CCNT1 O60563 4/20 0.49
▸ CDK9 P50750 4/20 0.49
▸ CDK1 P06493 5/20 0.47
▸ CCNB1 P14635 5/20 0.47
▸ ACVR1 Q04771 2/20 0.46
▸ CDK7 P50613 3/20 0.46
▸ CCNH P51946 3/20 0.46
▸ MNAT1 P51948 1/20 0.46
▸ CCNA2 P20248 2/20 0.45
▸ CCND1 P24385 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ SYK P43405 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ SMG1 Q96Q15 1/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ BCR P11274 2/20 0.43
▸ GSK3B P49841 1/20 0.43

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
SCHEMBL28784438 0.93 CDK2 (0.45) FLT3CDK2CCNE1CCNT1CDK9
SCHEMBL2546292 0.91 CCNT1 (0.56) FLT3CDK2CCNT1CDK9CDK1
SCHEMBL2541867 0.91 FLT3 (0.55) FLT3CDK2CCNE1CCNT1CDK9
SCHEMBL2542426 0.85 SYK (0.46) FLT3CDK2CCNE1CCNT1CDK9
SCHEMBL2544054 0.85 CCNT1 (0.54) FLT3CDK2CCNT1CDK9CDK1
SCHEMBL2542034 0.85 FLT3 (0.55) FLT3CDK2CCNE1CCNT1CDK9
SCHEMBL27809537 0.84 ACVR1 (0.50) FLT3CDK2CCNT1CDK9CDK1
SCHEMBL2541381 0.82 FLT3 (0.46) FLT3CDK2CCNE1CCNT1CDK9
SCHEMBL2545785 0.82 BTK (0.53) FLT3CDK2CCNT1CDK9CDK1
SCHEMBL2543346 0.81 MKNK2 (0.51) CDK2CCNT1CDK9CDK1CCNB1

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 5 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-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 FLT3 388/4885CDK2 89/4885CCNE1 1003/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 FLT3 1182/4885CDK2 420/4885CCNE1 3574/4885

“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.

Send feedback