SCHEMBL3036434

SCHEMBL3036434

O=C(c1ccn(C(F)F)n1)N1CCN(c2ccc(Nc3nccc(-c4c[nH]c5cccc(F)c45)n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.55
▸ CDK2 P24941 7/20 0.50
▸ CDK1 P06493 4/20 0.50
▸ CCNB1 P14635 3/20 0.50
▸ CCNE1 P24864 2/20 0.50
▸ ACVR1 Q04771 2/20 0.43
▸ CDK7 P50613 3/20 0.41
▸ CCNH P51946 2/20 0.41
▸ MNAT1 P51948 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ IGF1R P08069 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ MAPK10 P53779 1/20 0.39

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
SCHEMBL3046002 0.86 FLT3 (0.56) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3048118 0.79 JAK2 (0.58) FLT3CDK2AURKACDK4AURKB
SCHEMBL3041333 0.76 FLT3 (0.60) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL7617932 0.72 CCNB2 (0.58) FLT3CDK2CDK1CCNB1AURKA
SCHEMBL3056269 0.71 FLT3 (1.00) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL13602051 0.69 FLT3 (0.78) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL13086862 0.69 JAK2 (0.59) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3048139 0.68 FLT3 (0.63) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3046183 0.68 FLT3 (0.76) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3048528 0.68 FLT3 (0.59) 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 1 patent. 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

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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