SCHEMBL3049594

SCHEMBL3049594

Fc1cc2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)c[nH]c2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.55
▸ FLT3 P36888 3/20 0.52
▸ SMG1 Q96Q15 1/20 0.51
▸ CDK2 P24941 2/20 0.50
▸ AURKA O14965 2/20 0.50
▸ AURKB Q96GD4 2/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ JAK3 P52333 2/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ CAMK2D Q13557 1/20 0.49
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ MYLK4 Q86YV6 2/20 0.47
▸ STK17A Q9UEE5 2/20 0.47
▸ MAPK8 P45983 2/20 0.47
▸ MAPK10 P53779 2/20 0.47
▸ MAPK9 P45984 1/20 0.47

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
SCHEMBL3052529 0.86 JAK2 (0.58) JAK2FLT3CDK2AURKAAURKB
SCHEMBL3049599 0.86 JAK2 (0.60) JAK2FLT3CDK2AURKAAURKB
SCHEMBL3053424 0.82 JAK2 (0.61) JAK2FLT3SMG1JAK3CAMK2D
SCHEMBL3052850 0.82 FLT3 (0.73) JAK2FLT3SMG1CDK2AURKA
SCHEMBL3044992 0.82 JAK2 (0.55) JAK2FLT3CDK2AURKAAURKB
SCHEMBL3048105 0.81 FLT3 (0.56) FLT3CDK2AURKAAURKBCDK4
SCHEMBL3048118 0.81 JAK2 (0.58) JAK2FLT3CDK2AURKAAURKB
SCHEMBL3043740 0.81 JAK2 (0.58) JAK2FLT3CDK2AURKAAURKB
SCHEMBL3035592 0.80 JAK2 (0.66) JAK2FLT3SMG1JAK3JAK1
SCHEMBL13086862 0.80 JAK2 (0.59) JAK2FLT3CDK2AURKAAURKB

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 7 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
EP-2040546-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-01 — — EP claimed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 — — WO 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 JAK2 16/4885FLT3 11/4885SMG1 579/4885

“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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