SCHEMBL3043711

SCHEMBL3043711

O=C(CCO)N1CCN(c2ccc(Nc3nccc(-c4c[nH]c5ccc(F)cc45)n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.62
▸ CDK2 P24941 7/20 0.56
▸ CDK1 P06493 4/20 0.56
▸ CCNB1 P14635 3/20 0.56
▸ CCNE1 P24864 2/20 0.56
▸ IGF1R P08069 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ CDK7 P50613 3/20 0.46
▸ CCNH P51946 2/20 0.46
▸ MNAT1 P51948 2/20 0.46
▸ ACVR1 Q04771 1/20 0.45
▸ CDK9 P50750 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAP3K14 Q99558 1/20 0.43
▸ CCNT1 O60563 1/20 0.42
▸ CCNA2 P20248 1/20 0.42

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
SCHEMBL3048139 0.94 FLT3 (0.63) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL4555951 0.91 FLT3 (0.65) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3162405 0.91 FLT3 (0.60) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3041597 0.89 FLT3 (0.60) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3035596 0.89 FLT3 (0.56) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3041619 0.88 FLT3 (0.57) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3036401 0.88 FLT3 (0.60) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3041623 0.87 FLT3 (0.58) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3045421 0.87 FLT3 (0.59) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3040112 0.86 FLT3 (0.62) FLT3CDK2CDK1CCNB1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — US claimed
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — 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 (1 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-20100267707-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET FLT3 11/4885CDK2 145/4885CDK1 178/4885

“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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