SCHEMBL3053424

SCHEMBL3053424

Clc1cc(Cl)cc(-c2ccc3[nH]cc(-c4ccnc(Nc5ccc(N6CCOCC6)cc5)n4)c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.61
▸ SMG1 Q96Q15 1/20 0.54
▸ FLT3 P36888 1/20 0.53
▸ JAK3 P52333 4/20 0.51
▸ CAMK2D Q13557 1/20 0.51
▸ MYLK4 Q86YV6 2/20 0.50
▸ STK17A Q9UEE5 2/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ TYK2 P29597 1/20 0.50
▸ PIM1 P11309 1/20 0.49
▸ PIM3 Q86V86 1/20 0.49
▸ PIM2 Q9P1W9 1/20 0.49

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
SCHEMBL3035592 0.90 JAK2 (0.66) JAK2SMG1FLT3JAK3MYLK4
SCHEMBL3051460 0.86 JAK2 (0.58) JAK2FLT3JAK3MYLK4STK17A
SCHEMBL3049599 0.85 JAK2 (0.60) JAK2FLT3JAK3JAK1TYK2
SCHEMBL3052850 0.82 FLT3 (0.73) JAK2SMG1FLT3
SCHEMBL3049594 0.82 JAK2 (0.55) JAK2SMG1FLT3JAK3CAMK2D
SCHEMBL3052529 0.79 JAK2 (0.58) JAK2FLT3JAK3MYLK4STK17A
SCHEMBL3048140 0.78 JAK2 (0.55) JAK2SMG1FLT3JAK3JAK1
SCHEMBL3050088 0.78 CDK1 (0.73) JAK2FLT3
SCHEMBL12274500 0.77 CAMK2D (0.81) JAK2SMG1JAK3CAMK2DJAK1
SCHEMBL4378148 0.77 JAK2 (0.78) JAK2SMG1JAK3CAMK2DJAK1

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 JAK2 16/4885SMG1 579/4885FLT3 11/4885

“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