SCHEMBL3048370

SCHEMBL3048370

CN1CCN(c2ccc(Nc3nccc(-c4c[nH]c5ccccc45)n3)cc2F)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.59
▸ FLT3 P36888 3/20 0.59
▸ CDK1 P06493 1/20 0.59
▸ CCNB1 P14635 1/20 0.59
▸ CCNE1 P24864 1/20 0.59
▸ CDK7 P50613 1/20 0.59
▸ CCNH P51946 1/20 0.59
▸ MNAT1 P51948 1/20 0.59
▸ IGF1R P08069 3/20 0.57
▸ EGFR P00533 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ BRD4 O60885 1/20 0.57
▸ CDK4 P11802 4/20 0.54
▸ CCND3 P30281 4/20 0.54
▸ GSK3B P49841 4/20 0.54
▸ PIM1 P11309 3/20 0.54
▸ CCNA2 P20248 6/20 0.53
▸ CCNA1 P78396 6/20 0.53
▸ DYRK1B Q9Y463 2/20 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
SCHEMBL3042306 0.85 FLT3 (0.78) CDK2FLT3CDK1CCNB1CCNE1
SCHEMBL4499554 0.83 IGF1R (0.64) CDK2FLT3CDK1CCNB1CCNE1
SCHEMBL30556292 0.82 EGFR (0.54) CDK2FLT3CDK1CCNB1CCNE1
SCHEMBL22089640 0.82 EGFR (0.54) CDK2FLT3CDK1CCNB1CCNE1
SCHEMBL4510061 0.80 FLT3 (0.56) CDK2FLT3CDK1CCNB1CCNE1
SCHEMBL4506349 0.79 FLT3 (0.77) CDK2FLT3CDK1CCNB1CCNE1
SCHEMBL4518606 0.78 CCNT1 (0.60) CDK2FLT3CDK1CCNB1IGF1R
SCHEMBL4510383 0.77 FLT3 (0.64) CDK2FLT3CDK1CCNB1EGFR
SCHEMBL14719022 0.77 EGFR (0.74) CDK2FLT3CDK1CCNB1CCNE1
SCHEMBL30998031 0.77 EGFR (0.72) CDK2FLT3CDK1CCNB1CCNE1

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-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
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — US disclosed
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — US disclosed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 — — WO 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 CDK2 145/4885FLT3 11/4885CDK1 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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